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3010-02-4,MFCD00001891
Catalog No.:AA003SGT

3010-02-4 | Diethylaminoacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$95.00   $67.00
- +
100mg
95%
3 weeks  
$104.00   $73.00
- +
250mg
95%
3 weeks  
$109.00   $77.00
- +
500mg
95%
3 weeks  
$122.00   $85.00
- +
1g
95%
3 weeks  
$133.00   $93.00
- +
2.5g
95%
3 weeks  
$209.00   $147.00
- +
5g
95%
3 weeks  
$340.00   $238.00
- +
10g
95%
3 weeks  
$559.00   $392.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003SGT
Chemical Name:
Diethylaminoacetonitrile
CAS Number:
3010-02-4
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD00001891
SMILES:
CCN(CC#N)CC
NSC Number:
15878
Properties
Properties
 
BP:
170.0°C  
Refractive Index:
n20/D 1.426(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
85.9  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Downstream Synthesis Route

[1]ChemischeBerichte,1954,vol.87,p.940,944

[1]ChemischeBerichte,1954,vol.87,p.940,944

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1989,vol.25,p.566-570    ZhurnalOrganicheskoiKhimii,1989,vol.25,p.629-633

37619-24-2    3010-02-4   
2-diethylamino-3-(1-methyl-1<i>H</i>-pyrrol-2-yl)-3-oxo-propionitrile 

[1]OrganicLetters,2002,vol.4,p.1103-1105

26537-19-9    3010-02-4   
3-(4-<i>tert</i>-butyl-phenyl)-2-diethylamino-3-oxo-propionitrile 

[1]Yang,Zhong;Zhang,Zhongxing;Meanwell,NicholasA.;Kadow,JohnF.;Wang,Tao[OrganicLetters,2002,vol.4,#7,p.1103-1105]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:3010-02-4 Molecular Formula|3010-02-4 MDL|3010-02-4 SMILES|3010-02-4 Diethylaminoacetonitrile
Catalog No.: AA003SGT
3010-02-4,MFCD00001891
3010-02-4 | Diethylaminoacetonitrile
Pack Size： 50mg
Purity： 95%
3 weeks
$95.00 $67.00
Pack Size： 100mg
Purity： 95%
3 weeks
$104.00 $73.00
Pack Size： 250mg
Purity： 95%
3 weeks
$109.00 $77.00
Pack Size： 500mg
Purity： 95%
3 weeks
$122.00 $85.00
Pack Size： 1g
Purity： 95%
3 weeks
$133.00 $93.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$209.00 $147.00
Pack Size： 5g
Purity： 95%
3 weeks
$340.00 $238.00
Pack Size： 10g
Purity： 95%
3 weeks
$559.00 $392.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003SGT
Chemical Name: Diethylaminoacetonitrile
CAS Number: 3010-02-4
Molecular Formula: C6H12N2
Molecular Weight: 112.1729
MDL Number: MFCD00001891
SMILES: CCN(CC#N)CC
NSC Number: 15878
Properties
BP: 170.0°C  
Refractive Index: n20/D 1.426(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 85.9  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Downstream Synthesis Route
120-72-9    3010-02-4    771-51-7    74-90-8    1968-05-4    109-89-7 

[1]ChemischeBerichte,1954,vol.87,p.940,944

120-72-9    3010-02-4    1968-05-4 

[1]ChemischeBerichte,1954,vol.87,p.940,944

74-86-2    3010-02-4    17751-50-7 

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1989,vol.25,p.566-570    ZhurnalOrganicheskoiKhimii,1989,vol.25,p.629-633

37619-24-2    3010-02-4   
2-diethylamino-3-(1-methyl-1<i>H</i>-pyrrol-2-yl)-3-oxo-propionitrile 

[1]OrganicLetters,2002,vol.4,p.1103-1105

26537-19-9    3010-02-4   
3-(4-<i>tert</i>-butyl-phenyl)-2-diethylamino-3-oxo-propionitrile 

[1]Yang,Zhong;Zhang,Zhongxing;Meanwell,NicholasA.;Kadow,JohnF.;Wang,Tao[OrganicLetters,2002,vol.4,#7,p.1103-1105]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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