Molecular properties
- Formula
- C13H21N
- Molar mass
- 191.32 g·mol−1
- Exact mass
- 191.1674 Da
- 4
- PubChem CID
- 22034817
Molecule record
2-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
- 121866-22-6
- A1-19849
- SCHEMBL3593379
- SCHEMBL985061
Structure identifiers
- Canonical SMILES
- CCCCCCCc1ccccc1N
- Isomeric SMILES
- CCCCCCCC1=CC=CC=C1N
- InChI
- InChI=1S/C13H21N/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11H,2-6,9,14H2,1H3
- InChIKey
- UDUYYXNBUMJIHO-UHFFFAOYSA-N
- PubChem CID
- 22034817
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 2-heptylaniline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-heptylaniline; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.