Molecular properties
- Formula
- C6H11N
- Molar mass
- 97.16 g·mol−1
- Exact mass
- 97.0891 Da
- 2
- 0
- 1
- 23.80 Ų
- 1.7 (PubChem computed XLogP3-AA descriptor)
- CAS
- 628-73-9
- PubChem CID
- 12352
Molecule record
HEXANENITRILE
C6H11N
97.16 g/mol
Interactions
- Polarity
- Polar functional group with nonpolar contribution from the carbon skeleton.
- 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
Nitrile
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.7 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Cyanopentane
- 211-052-0
- 628-73-9
- Amyl Cyanide
- BRN 1633601
- Capronitrile
- DTXCID0043551
- DTXSID0060858
Show all 22 synonyms
- EINECS 211-052-0
- Hexane nitrile
- Hexanonitrile
- MFCD00001979
- NSC 1076
- NSC-1076
- Pentyl cyanide
- RefChem:1086592
- S1XKP5498P
- Tricapronile
- n-Amyl cyanide
- n-Capronitrile
- n-Pentyl cyanide
- n-hexanenitrile
Structure identifiers
- Canonical SMILES
- CCCCCC#N
- Isomeric SMILES
- CCCCCC#N
- InChI
- InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
- InChIKey
- AILKHAQXUAOOFU-UHFFFAOYSA-N
- PubChem CID
- 12352
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
2250 cm−1C≡N nitrile (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for HEXANENITRILE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for HEXANENITRILE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.