Home Amines 100655-27-4
100655-27-4,MFCD18837615
Catalog No.:AA0002HV
100655-27-4 | 2-(Dimethylamino)-5-formylbenzonitrile
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1mg
3 weeks  
$214.00   $150.00
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5mg
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$231.00   $162.00
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10mg
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$264.00   $185.00
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500mg
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$299.00   $209.00
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1g
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$355.00   $249.00
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5g
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10g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002HV
Chemical Name:
2-(Dimethylamino)-5-formylbenzonitrile
CAS Number:
100655-27-4
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD18837615
IUPAC Name:
2-(dimethylamino)-5-formylbenzonitrile
InChI:
InChI=1S/C10H10N2O/c1-12(2)10-4-3-8(7-13)5-9(10)6-11/h3-5,7H,1-2H3
InChI Key:
QFGBDJDMBCDTFM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C=O)ccc1N(C)C
Properties
Computed Properties
 
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
2-(dimethylamino)-5-formylbenzonitrile 
100655-27-4 
7239AC 
MFCD01313826 
2-Cyano-N,N-dimethyl-4-formylaniline 
3-Cyano-4-(dimethylamino)benzaldehyde 
AKOS015850763 
BF-0748 
RP10625 
TR-033780 
FT-0682905 
2-(Dimethylamino)-5-formylbenzonitrile 95+% 
3-Cyano-4-dimethylamino-benzaldehyd 
J-506389 
I01-14441 
C10H10N2O 
dimethylaminoformylbenzonitrile 
SCHEMBL6185779 
CHEMBL1650252 
CTK3J9163 
DTXSID80660101 
KS-000022YQ 
ZINC2243859 
Literature

Title: Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

Journal: Journal of medicinal chemistry 20110113

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