Molecular properties
- Formula
- C7H6N2
- Molar mass
- 118.14 g·mol−1
- Exact mass
- 118.0531 Da
- 6
- PubChem CID
- 16702
Molecule record
3-aminobenzonitrile
C7H6N2
118.14 g/mol
Loading structure
Functional groups
Aromatic ring
Nitrile
Primary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 15V3CW939X
- 218-800-5
- 2237-30-1
- 3-Amino-benzonitrile
- 3-Cyanoaniline
- 3-aminobenzenecarbonitrile
- 3-aminobenzonitril
- 3-cyanophenylamine
Show all 24 synonyms
- 4-14-00-01095 (Beilstein Handbook Reference)
- BRN 0636498
- Benzonitrile, 3-amino-
- Benzonitrile, 3-amino-(9CI)
- Benzonitrile, m-amino-
- DTXCID2099396
- DTXSID90176905
- EINECS 218-800-5
- M-AMINOBENZONITRILE
- MFCD00007756
- NSC 7626
- RefChem:497709
- UNII-15V3CW939X
- aniline, 3-cyano-
- m-Anthranilonitrile
- m-Cyanoaniline
Structure identifiers
- Canonical SMILES
- N#Cc1cccc(N)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)N)C#N
- InChI
- InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2
- InChIKey
- NJXPYZHXZZCTNI-UHFFFAOYSA-N
- PubChem CID
- 16702
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-aminobenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-aminobenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.