C1=CC(=C(C=C1C#N)N)N
CAS: 17626-40-3
Name: 3,4-diaminobenzonitrile
SMILES: C1=CC(=C(C=C1C#N)N)N

Molecular Processing

Molecular formula
C7H7N3
Molecular weight
133.15
Exact mass
133.064
XLogP
0.72
TPSA
75.83
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
39.98

Supplementary Information

InChIKey: VWLLPPSBBHDXHK-UHFFFAOYSA-N
Synonyms
3,4-Diaminobenzonitrile17626-40-3DTXSID80353223RefChem:90996DTXCID90304286629-100-8Benzonitrile, 3,4-diamino-MFCD007239013,4-diamino-benzonitrile4-cyano-1,2-phenylenediamine3,4-diaminobenzenecarbonitrile4-Cyanobenzene-1,2-diamine2-Amino-4-cyanoaniline3, 4-diaminobenzonitrile3,4 diamino benzonitrile3,4-diamino benzonitrileaniline, 2-amino-4-cyano-1,2-Diamino-4-cyanobenzene4-Cyano-1,2-benzenediamineSCHEMBL3521554-cyano-benzene-1,2-diamine3,4-Diaminobenzonitrile, 97%SCHEMBL294430923 pound not4-DiaminobenzonitrileFr14333AC-971CL8175SBB055258AKOS001270365CS-W007506
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