Molecular properties
- Formula
- C13H21N
- Molar mass
- 191.32 g·mol−1
- Exact mass
- 191.1674 Da
- 4
- PubChem CID
- 22120441
Molecule record
3-heptylaniline
C13H21N
191.32 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
- 121866-26-0
- 3-heptylbenzenaMine
- A1-19845
- AKOS032960897
- SCHEMBL29598219
- SCHEMBL6628922
Structure identifiers
- Canonical SMILES
- CCCCCCCc1cccc(N)c1
- Isomeric SMILES
- CCCCCCCC1=CC(=CC=C1)N
- InChI
- InChI=1S/C13H21N/c1-2-3-4-5-6-8-12-9-7-10-13(14)11-12/h7,9-11H,2-6,8,14H2,1H3
- InChIKey
- XWYXHMNZSCJINX-UHFFFAOYSA-N
- PubChem CID
- 22120441
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-heptylaniline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-heptylaniline; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.