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Molecule record

Aniline

C6H7N

93.13 g/mol

Show IUPAC name

IUPAC name

Benzenamine

2D structure for Aniline

Molecular properties

Formula
C6H7N
Molar mass
93.13 g·mol−1
Exact mass
93.0578 Da
4
1
1
26.00 Ų
0.9 (PubChem computed XLogP3-AA descriptor)
CAS
62-53-3
PubChem CID
6115

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Amine
Aromatic ring

Physical properties

PropertyValueConditionsSource
Logp0.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 62-53-3
  • Aminobenzene
  • Aminophen
  • Anilin
  • Anilina
  • Anilinum
  • Anyvim
  • Arylamine
Show all 21 synonyms
  • Benzene, amino
  • Benzeneamine
  • Benzidam
  • C.I. 76000
  • C.I. Oxidation Base 1
  • CI Oxidation Base 1
  • Cyanol
  • HSDB 43
  • Huile D'aniline
  • Krystallin
  • Kyanol
  • Phenylamine
  • Rcra waste number U012

Structure identifiers

Canonical SMILES
C1=CC=C(C=C1)N
Isomeric SMILES
C1=CC=C(C=C1)N
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
PubChem CID
6115

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Aniline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Aniline; not experimental data.

Related molecules

2D structure for acetanilide

acetanilide

C8H9NO135.16 g·mol−1

2D structure for benzene

benzene

C6H678.11 g·mol−1

2D structure for phenol

phenol

C6H6O94.11 g·mol−1

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record