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Molecule record

3-(aminomethyl)benzonitrile

C8H8N2

132.17 g/mol

Loading structure

Molecular properties

Formula
C8H8N2
Molar mass
132.17 g·mol−1
Exact mass
132.0687 Da
6
PubChem CID
457594

Functional groups

Alkane / alkyl carbon
Aromatic ring
Nitrile
Primary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 10406-24-3
  • 3-(aminomethyl)benzenecarbonitrile
  • 3-Aminomethyl-benzonitrile
  • 3-CYANOBENZYLAMINE
  • AKOS000151182
  • Benzonitrile, 3-(aminomethyl)-
  • CHEMBL1178160
  • CL8992
Show all 24 synonyms
  • CS-W005181
  • DTXCID1068724
  • DTXSID80146233
  • GS-4384
  • MFCD06797832
  • RefChem:566210
  • SBB068717
  • SCHEMBL15251732
  • SCHEMBL27518612
  • SCHEMBL27984373
  • SCHEMBL28302773
  • SCHEMBL30358086
  • SCHEMBL580840
  • SCHEMBL7053510
  • XFKPORAVEUOIRF-UHFFFAOYSA-N
  • m-Cyanobenzylamine

Structure identifiers

Canonical SMILES
N#Cc1cccc(CN)c1
Isomeric SMILES
C1=CC(=CC(=C1)C#N)CN
InChI
InChI=1S/C8H8N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5,9H2
InChIKey
XFKPORAVEUOIRF-UHFFFAOYSA-N
PubChem CID
457594

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-(aminomethyl)benzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-(aminomethyl)benzonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record