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Molecule record

3-propylaniline

C9H13N

135.21 g/mol

Loading structure

Molecular properties

Formula
C9H13N
Molar mass
135.21 g·mol−1
Exact mass
135.1048 Da
4
PubChem CID
6056

Functional groups

Alkane / alkyl carbon
Aromatic ring
Primary amine

Physical properties

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

Common names and synonyms

  • (3-propylphenyl)amine
  • 2524-81-4
  • 3-n-Propyl-aniline
  • 3-propylbenzenamine
  • AKOS006228670
  • AS-54530
  • Benzenamine, 3-propyl-
  • CAA52481
Show all 24 synonyms
  • CS-W001514
  • DTXCID00225958
  • DTXSID30274479
  • IPWGAPCYYMTTLT-UHFFFAOYSA-N
  • MFCD00833403
  • RefChem:281956
  • SB75439
  • SCHEMBL16684662
  • SCHEMBL27454646
  • SCHEMBL292013
  • SCHEMBL29403245
  • SCHEMBL379137
  • SCHEMBL7208354
  • SCHEMBL8038746
  • SCHEMBL958277
  • s11405

Structure identifiers

Canonical SMILES
CCCc1cccc(N)c1
Isomeric SMILES
CCCC1=CC(=CC=C1)N
InChI
InChI=1S/C9H13N/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7H,2,4,10H2,1H3
InChIKey
IPWGAPCYYMTTLT-UHFFFAOYSA-N
PubChem CID
6056

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-propylaniline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-propylaniline; 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