Molecular properties
- Formula
- C12H19N
- Molar mass
- 177.29 g·mol−1
- Exact mass
- 177.1517 Da
- 4
- PubChem CID
- 572240
Molecule record
3-hexylaniline
C12H19N
177.29 g/mol
Loading structure
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-Hexylaniline #
- 3-hexylbenzenaMine
- 36042-29-2
- A1-19843
- AKOS032947885
- Benzenamine, 3-hexyl-
- Benzeneamine, 3-hexyl-
- CS-0256177
Show all 21 synonyms
- DNKCZIYEBRERBA-UHFFFAOYSA-N
- DTXCID50292392
- DTXSID70341311
- F18190
- F668757
- MFCD20257241
- RefChem:279677
- SCHEMBL10496919
- SCHEMBL292371
- SCHEMBL29402837
- SCHEMBL3625874
- SCHEMBL7464880
- SCHEMBL8830292
Structure identifiers
- Canonical SMILES
- CCCCCCc1cccc(N)c1
- Isomeric SMILES
- CCCCCCC1=CC(=CC=C1)N
- InChI
- InChI=1S/C12H19N/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h6,8-10H,2-5,7,13H2,1H3
- InChIKey
- DNKCZIYEBRERBA-UHFFFAOYSA-N
- PubChem CID
- 572240
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-hexylaniline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-hexylaniline; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.