Home Nitriles Benzonitrile, 2-amino-4-(dimethylamino)-

Benzonitrile, 2-amino-4-(dimethylamino)-

CAS No.:
28340-63-8
Catalog Number:
AG00BLRV
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
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Product Description
Catalog Number:
AG00BLRV
Chemical Name:
Benzonitrile, 2-amino-4-(dimethylamino)-
CAS Number:
28340-63-8
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD18826245
IUPAC Name:
2-amino-4-(dimethylamino)benzonitrile
InChI:
InChI=1S/C9H11N3/c1-12(2)8-4-3-7(6-10)9(11)5-8/h3-5H,11H2,1-2H3
InChI Key:
WUSHGMMTXAGGMG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1N)N(C)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties