1197-19-9,MFCD14706514
Catalog No.:AA000PE6

1197-19-9 | 4-(Dimethylamino)benzonitrile

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1g
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5g
98%
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$29.00   $21.00
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25g
98%
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$52.00   $36.00
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100g
98%
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$204.00   $143.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000PE6
Chemical Name:
4-(Dimethylamino)benzonitrile
CAS Number:
1197-19-9
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD14706514
SMILES:
N#Cc1ccc(cc1)N(C)C
NSC Number:
409122
Properties
Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Literature

Title: Multimode charge-transfer dynamics of 4-(dimethylamino)benzonitrile probed with ultraviolet femtosecond stimulated Raman spectroscopy.

Journal: The journal of physical chemistry. B 20120906

Title: Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.

Journal: The journal of physical chemistry. A 20111013

Title: Intramolecular charge transfer and dual fluorescence of 4-(dimethylamino)benzonitrile: ultrafast branching followed by a two-fold decay mechanism.

Journal: Physical chemistry chemical physics : PCCP 20110907

Title: The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile.

Journal: Physical chemistry chemical physics : PCCP 20110421

Title: The effect of the complexation of p-N,N-dimethylaminobenzoic acid and p-N,N-dimethylaminobenzonitrile with LaCl3 on spectral-luminescent parameters of fluorophores.

Journal: Journal of fluorescence 20110301

Title: Molecular states of p-dimethylaminobenzonitrile coground with β-cyclodextrin investigated using solid-state fluorescence spectroscopy.

Journal: Chemical & pharmaceutical bulletin 20110101

Title: Pentacyano-N,N-dimethylaniline in the excited state. Only locally excited state emission, in spite of the large electron affinity of the pentacyanobenzene subgroup.

Journal: The journal of physical chemistry. A 20101223

Title: Probing the charge transfer reaction coordinate of 4-(dimethylamino)benzonitrile with femtosecond stimulated Raman spectroscopy.

Journal: The journal of physical chemistry. B 20101118

Title: Excitation wavelength dependence of dual fluorescence of DMABN in polar solvents.

Journal: Journal of fluorescence 20101101

Title: A ratiometric TICT-type dual fluorescent sensor for an amino acid.

Journal: Physical chemistry chemical physics : PCCP 20100707

Title: Intramolecular charge transfer with 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and other aminobenzonitriles. A comparison of experimental vapor phase spectra and crystal structures with calculations.

Journal: Journal of the American Chemical Society 20100609

Title: Fluorescence response of 4-(N,N'-dimethylamino)benzonitrile in room temperature ionic liquids: observation of photobleaching under mild excitation condition and multiphoton confocal microscopic study of the fluorescence recovery dynamics.

Journal: The journal of physical chemistry. B 20100211

Title: Intramolecular charge transfer of 4-(dimethylamino)benzonitrile probed by time-resolved fluorescence and transient absorption: No evidence for two ICT states and a pisigma( *) reaction intermediate.

Journal: The Journal of chemical physics 20091214

Title: Excited state surfaces in density functional theory: a new twist on an old problem.

Journal: The Journal of chemical physics 20090907

Title: Do fluorescence and transient absorption probe the same intramolecular charge transfer state of 4-(dimethylamino)benzonitrile?

Journal: The Journal of chemical physics 20090721

Title: TDDFT diagnostic testing and functional assessment for triazene chromophores.

Journal: Physical chemistry chemical physics : PCCP 20090614

Title: Counterintuitive absence of an excited-state intramolecular charge transfer reaction with 2,4,6-tricyanoanilines. Experimental and computational results.

Journal: The journal of physical chemistry. A 20090326

Title: [Solid states fluorescence study of p-dimethylaminobenzonitrile by co-grinding with cyclodextrins].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20090201

Title: Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol.

Journal: Journal of computational chemistry 20080901

Title: Tuning dual emission behavior of p-dialkylaminobenzonitriles by supramolecular interactions with cyclodextrin hosts.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080801

Title: Integrated approach for modeling the emission fluorescence of 4-(N,N-dimethylamino)benzonitrile in polar environments.

Journal: The journal of physical chemistry. B 20080710

Title: 4-(Dimethyl-amino)benzaldehyde.

Journal: Acta crystallographica. Section E, Structure reports online 20080701

Title: Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile.

Journal: The journal of physical chemistry. A 20080403

Title: Triplet state dipole moments of aminobenzonitriles.

Journal: The journal of physical chemistry. A 20080221

Title: Efficient singlet-state deactivation of cyano-substituted indolines in protic solvents via CN--HO hydrogen bonds.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20071221

Title: Dynamics of ultrafast intramolecular charge transfer with 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) in n-hexane and acetonitrile.

Journal: The journal of physical chemistry. A 20071220

Title: Solvent effects on the charge transfer excited states of 4-dimethylaminobenzonitrile (DMABN) and 4-dimethylamino-3,5-dimethylbenzonitrile (TMABN) studied by time-resolved infrared spectroscopy: a direct observation of hydrogen bonding interactions.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20070901

Title: 4-N-Methyl-N'-(2-dihydroxyboryl-benzyl)amino benzonitrile and its boronate analogue sensing saccharides and fluoride ion.

Journal: Bioorganic & medicinal chemistry letters 20070501

Title: Ultrafast relaxation and coherent oscillations in aminobenzonitriles in the gas phase probed by intense-field ionization.

Journal: Physical chemistry chemical physics : PCCP 20070314

Title: Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives.

Journal: The journal of physical chemistry. A 20061012

Title: Determination of Kamlet-Taft solvent parameters pi* of high pressure and supercritical water by the UV-Vis absorption spectral shift of 4-nitroanisole.

Journal: Physical chemistry chemical physics : PCCP 20060521

Title: Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino)benzonitrile in acetonitrile.

Journal: The journal of physical chemistry. A 20060309

Title: Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model.

Journal: The Journal of chemical physics 20060307

Title: Luminescence properties of dual fluorescent pyrene derivatives used as DNA probe molecule.

Journal: Nucleic acids symposium series (2004) 20060101

Title: Photoproduct formation with 4-aminobenzonitriles in acetonitrile and its effect on photophysical measurements.

Journal: The journal of physical chemistry. A 20051215

Title: Photophysics of aromatic molecules with low-lying pi sigma* states: excitation-energy dependence of fluorescence in jet-cooled aromatic nitriles.

Journal: The journal of physical chemistry. A 20050818

Title: Theoretical study on the photochemical behavior of 4-(dimethylamino)benzonitrile.

Journal: The journal of physical chemistry. A 20050818

Title: Intramolecular charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in acetonitrile solution: RISM-SCF study.

Journal: The journal of physical chemistry. A 20050623

Title: Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist.

Journal: Journal of the American Chemical Society 20050518

Title: Theoretical study of photoinduced singlet and triplet excited states of 4-dimethylaminobenzonitrile and its derivatives.

Journal: The Journal of chemical physics 20050515

Title: Electronic and vibrational spectra of the low-lying pisigma* state of 4-dimethylaminobenzonitrile: comparison of theoretical predictions with experiment.

Journal: The Journal of chemical physics 20050315

Title: The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules.

Journal: The Journal of chemical physics 20040808

Title: On the nature of the low-lying singlet states of 4-(Dimethyl-amino)benzonitrile.

Journal: Journal of the American Chemical Society 20040616

Title: Intramolecular charge transfer with the planarized 4-aminobenzonitrile 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6).

Journal: Journal of the American Chemical Society 20040218

Title: Photoinduced intramolecular charge transfer in 4-(dimethyl)aminobenzonitrile--a theoretical perspective.

Journal: Journal of the American Chemical Society 20040204

Title: Direct observation of a hydrogen-bonded charge-transfer state of 4-dimethylaminobenzonitrile in methanol by time-resolved IR spectroscopy.

Journal: Angewandte Chemie (International ed. in English) 20030425

Title: Microenvironmental effects in the excited state properties of p-dimethylaminobenzonitrile complexed to alpha- and beta-cyclodextrin.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20030301

Title: Singlet excited state dipole moments of dual fluorescent N-phenylpyrroles and 4-(dimethylamino)benzonitrile from solvatochromic and thermochromic spectral shifts.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20030301

Title: Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems.

Journal: Journal of the American Chemical Society 20030108

Title: Ultrafast charge transfer via a conical intersection in dimethylaminobenzonitrile.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020401

Title: An experimental test of C-N bond twisting in the TICT state: syn-anti photoisomerization in 2-(N-methyl-N-isopropylamino)-5-cyanopyridine.

Journal: Journal of the American Chemical Society 20020320

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Tags:1197-19-9 Molecular Formula|1197-19-9 MDL|1197-19-9 SMILES|1197-19-9 4-(Dimethylamino)benzonitrile
Catalog No.: AA000PE6
1197-19-9,MFCD14706514
1197-19-9 | 4-(Dimethylamino)benzonitrile
Pack Size: 1g
Purity: 98%
in stock
$9.00 $7.00
Pack Size: 5g
Purity: 98%
in stock
$29.00 $21.00
Pack Size: 25g
Purity: 98%
in stock
$52.00 $36.00
Pack Size: 100g
Purity: 98%
in stock
$204.00 $143.00
Quantity
- +
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Technical Information
Catalog Number: AA000PE6
Chemical Name: 4-(Dimethylamino)benzonitrile
CAS Number: 1197-19-9
Molecular Formula: C9H10N2
Molecular Weight: 146.1891
MDL Number: MFCD14706514
SMILES: N#Cc1ccc(cc1)N(C)C
NSC Number: 409122
Properties
Complexity: 158  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Literature fold

Title: Multimode charge-transfer dynamics of 4-(dimethylamino)benzonitrile probed with ultraviolet femtosecond stimulated Raman spectroscopy.

Journal: The journal of physical chemistry. B20120906

Title: Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.

Journal: The journal of physical chemistry. A20111013

Title: Intramolecular charge transfer and dual fluorescence of 4-(dimethylamino)benzonitrile: ultrafast branching followed by a two-fold decay mechanism.

Journal: Physical chemistry chemical physics : PCCP20110907

Title: The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile.

Journal: Physical chemistry chemical physics : PCCP20110421

Title: The effect of the complexation of p-N,N-dimethylaminobenzoic acid and p-N,N-dimethylaminobenzonitrile with LaCl3 on spectral-luminescent parameters of fluorophores.

Journal: Journal of fluorescence20110301

Title: Molecular states of p-dimethylaminobenzonitrile coground with β-cyclodextrin investigated using solid-state fluorescence spectroscopy.

Journal: Chemical & pharmaceutical bulletin20110101

Title: Pentacyano-N,N-dimethylaniline in the excited state. Only locally excited state emission, in spite of the large electron affinity of the pentacyanobenzene subgroup.

Journal: The journal of physical chemistry. A20101223

Title: Probing the charge transfer reaction coordinate of 4-(dimethylamino)benzonitrile with femtosecond stimulated Raman spectroscopy.

Journal: The journal of physical chemistry. B20101118

Title: Excitation wavelength dependence of dual fluorescence of DMABN in polar solvents.

Journal: Journal of fluorescence20101101

Title: A ratiometric TICT-type dual fluorescent sensor for an amino acid.

Journal: Physical chemistry chemical physics : PCCP20100707

Title: Intramolecular charge transfer with 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and other aminobenzonitriles. A comparison of experimental vapor phase spectra and crystal structures with calculations.

Journal: Journal of the American Chemical Society20100609

Title: Fluorescence response of 4-(N,N'-dimethylamino)benzonitrile in room temperature ionic liquids: observation of photobleaching under mild excitation condition and multiphoton confocal microscopic study of the fluorescence recovery dynamics.

Journal: The journal of physical chemistry. B20100211

Title: Intramolecular charge transfer of 4-(dimethylamino)benzonitrile probed by time-resolved fluorescence and transient absorption: No evidence for two ICT states and a pisigma( *) reaction intermediate.

Journal: The Journal of chemical physics20091214

Title: Excited state surfaces in density functional theory: a new twist on an old problem.

Journal: The Journal of chemical physics20090907

Title: Do fluorescence and transient absorption probe the same intramolecular charge transfer state of 4-(dimethylamino)benzonitrile?

Journal: The Journal of chemical physics20090721

Title: TDDFT diagnostic testing and functional assessment for triazene chromophores.

Journal: Physical chemistry chemical physics : PCCP20090614

Title: Counterintuitive absence of an excited-state intramolecular charge transfer reaction with 2,4,6-tricyanoanilines. Experimental and computational results.

Journal: The journal of physical chemistry. A20090326

Title: [Solid states fluorescence study of p-dimethylaminobenzonitrile by co-grinding with cyclodextrins].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan20090201

Title: Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol.

Journal: Journal of computational chemistry20080901

Title: Tuning dual emission behavior of p-dialkylaminobenzonitriles by supramolecular interactions with cyclodextrin hosts.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology20080801

Title: Integrated approach for modeling the emission fluorescence of 4-(N,N-dimethylamino)benzonitrile in polar environments.

Journal: The journal of physical chemistry. B20080710

Title: 4-(Dimethyl-amino)benzaldehyde.

Journal: Acta crystallographica. Section E, Structure reports online20080701

Title: Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile.

Journal: The journal of physical chemistry. A20080403

Title: Triplet state dipole moments of aminobenzonitriles.

Journal: The journal of physical chemistry. A20080221

Title: Efficient singlet-state deactivation of cyano-substituted indolines in protic solvents via CN--HO hydrogen bonds.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry20071221

Title: Dynamics of ultrafast intramolecular charge transfer with 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) in n-hexane and acetonitrile.

Journal: The journal of physical chemistry. A20071220

Title: Solvent effects on the charge transfer excited states of 4-dimethylaminobenzonitrile (DMABN) and 4-dimethylamino-3,5-dimethylbenzonitrile (TMABN) studied by time-resolved infrared spectroscopy: a direct observation of hydrogen bonding interactions.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology20070901

Title: 4-N-Methyl-N'-(2-dihydroxyboryl-benzyl)amino benzonitrile and its boronate analogue sensing saccharides and fluoride ion.

Journal: Bioorganic & medicinal chemistry letters20070501

Title: Ultrafast relaxation and coherent oscillations in aminobenzonitriles in the gas phase probed by intense-field ionization.

Journal: Physical chemistry chemical physics : PCCP20070314

Title: Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives.

Journal: The journal of physical chemistry. A20061012

Title: Determination of Kamlet-Taft solvent parameters pi* of high pressure and supercritical water by the UV-Vis absorption spectral shift of 4-nitroanisole.

Journal: Physical chemistry chemical physics : PCCP20060521

Title: Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino)benzonitrile in acetonitrile.

Journal: The journal of physical chemistry. A20060309

Title: Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model.

Journal: The Journal of chemical physics20060307

Title: Luminescence properties of dual fluorescent pyrene derivatives used as DNA probe molecule.

Journal: Nucleic acids symposium series (2004)20060101

Title: Photoproduct formation with 4-aminobenzonitriles in acetonitrile and its effect on photophysical measurements.

Journal: The journal of physical chemistry. A20051215

Title: Photophysics of aromatic molecules with low-lying pi sigma* states: excitation-energy dependence of fluorescence in jet-cooled aromatic nitriles.

Journal: The journal of physical chemistry. A20050818

Title: Theoretical study on the photochemical behavior of 4-(dimethylamino)benzonitrile.

Journal: The journal of physical chemistry. A20050818

Title: Intramolecular charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in acetonitrile solution: RISM-SCF study.

Journal: The journal of physical chemistry. A20050623

Title: Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist.

Journal: Journal of the American Chemical Society20050518

Title: Theoretical study of photoinduced singlet and triplet excited states of 4-dimethylaminobenzonitrile and its derivatives.

Journal: The Journal of chemical physics20050515

Title: Electronic and vibrational spectra of the low-lying pisigma* state of 4-dimethylaminobenzonitrile: comparison of theoretical predictions with experiment.

Journal: The Journal of chemical physics20050315

Title: The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules.

Journal: The Journal of chemical physics20040808

Title: On the nature of the low-lying singlet states of 4-(Dimethyl-amino)benzonitrile.

Journal: Journal of the American Chemical Society20040616

Title: Intramolecular charge transfer with the planarized 4-aminobenzonitrile 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6).

Journal: Journal of the American Chemical Society20040218

Title: Photoinduced intramolecular charge transfer in 4-(dimethyl)aminobenzonitrile--a theoretical perspective.

Journal: Journal of the American Chemical Society20040204

Title: Direct observation of a hydrogen-bonded charge-transfer state of 4-dimethylaminobenzonitrile in methanol by time-resolved IR spectroscopy.

Journal: Angewandte Chemie (International ed. in English)20030425

Title: Microenvironmental effects in the excited state properties of p-dimethylaminobenzonitrile complexed to alpha- and beta-cyclodextrin.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology20030301

Title: Singlet excited state dipole moments of dual fluorescent N-phenylpyrroles and 4-(dimethylamino)benzonitrile from solvatochromic and thermochromic spectral shifts.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology20030301

Title: Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems.

Journal: Journal of the American Chemical Society20030108

Title: Ultrafast charge transfer via a conical intersection in dimethylaminobenzonitrile.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology20020401

Title: An experimental test of C-N bond twisting in the TICT state: syn-anti photoisomerization in 2-(N-methyl-N-isopropylamino)-5-cyanopyridine.

Journal: Journal of the American Chemical Society20020320

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