C1=CC=C(C(=C1)C#N)N
CAS: 1885-29-6
Name: 2-aminobenzonitrile
SMILES: C1=CC=C(C(=C1)C#N)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: HLCPWBZNUKCSBN-UHFFFAOYSA-N
Synonyme
2-Aminobenzonitrile1885-29-6Benzonitrile, 2-amino-DTXSID90518245RXH2B211RDTXCID4030380RefChem:85364217-549-9Anthranilonitrile2-Cyanoanilineo-Aminobenzonitrileo-Cyanoaniline2-amino-benzonitrileMFCD000076312-aminobenzenecarbonitrileaniline, 2-cyano-aminobenzonitrileBenzonitrile, amino-2-amino benzonitrile2-Cyano-1-aminobenzeneEINECS 217-549-9BRN 0907187UNII-5RXH2B211R2-aminobenzo nitrileBenzonitrile, o-amino-2-amino-1-cyano-benzene2- aminobenzenecarbonitrile2-Aminobenzonitrile, 98%SCHEMBL713244-14-00-01013 (Beilstein Handbook Reference)
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