Home Nitriles 3-[(3-aminophenyl)amino]benzonitrile

3-[(3-aminophenyl)amino]benzonitrile

CAS No.:
1147094-81-2
Catalog Number:
AG01AHOD
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
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Product Description
Catalog Number:
AG01AHOD
Chemical Name:
3-[(3-aminophenyl)amino]benzonitrile
CAS Number:
1147094-81-2
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
3-(3-aminoanilino)benzonitrile
InChI:
InChI=1S/C13H11N3/c14-9-10-3-1-5-12(7-10)16-13-6-2-4-11(15)8-13/h1-8,16H,15H2
InChI Key:
KGKKUZMSQNMMBQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Nc1cccc(c1)N
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties