C1=CC(=CC(=C1)N)C#N
CAS: 2237-30-1
Name: 3-aminobenzonitrile
SMILES: C1=CC(=CC(=C1)N)C#N

Molecular Processing

Molecular formula
C7H6N2
Molecular weight
118.14
Exact mass
118.0531
XLogP
1.14
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
35.57

Supplementary Information

InChIKey: NJXPYZHXZZCTNI-UHFFFAOYSA-N
Synonyme
3-Aminobenzonitrile2237-30-13-CyanoanilineM-AMINOBENZONITRILEm-CyanoanilineBenzonitrile, 3-amino-Benzonitrile, m-amino-m-AnthranilonitrileNSC 76263-cyanophenylamineEINECS 218-800-5BRN 063649815V3CW939XNSC-7626DTXSID901769054-14-00-01095 (Beilstein Handbook Reference)RefChem:497709Benzonitrile, 3-amino-(9CI)DTXCID2099396218-800-53-aminobenzonitril3-Amino-benzonitrile3-aminobenzenecarbonitrileMFCD00007756aniline, 3-cyano-UNII-15V3CW939X3-cyano-anilineNSC762671G3-amino benzonitrile
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