Molecular properties
- Formula
- C14H19N
- Molar mass
- 201.31 g·mol−1
- Exact mass
- 201.1517 Da
- 6
- PubChem CID
- 575863
Molecule record
4-heptylbenzonitrile
C14H19N
201.31 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-(4-Cyanophenyl)heptane
- 4-(6-methylhexyl) benzonitrile
- 4-Heptylbenzonitrile #
- 4-N-HEPTYLBENZONITRILE
- 4-heptylbenzenecarbonitrile
- 60484-67-5
- 679-958-2
- AKOS015839894
Show all 24 synonyms
- D90950
- DB-015637
- DTXCID20292884
- DTXSID00341804
- FH61860
- H0778
- InChI=1/C14H19N/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h8-11H,2-7H2,1H3
- MFCD00143348
- RefChem:523578
- SBB059149
- SCHEMBL1312812
- ST51044275
- SY050765
- XTIKBCXMOYZUMG-UHFFFAOYSA-
- p-Heptylbenzonitrile
- p-n-heptylbenzonitrile
Structure identifiers
- Canonical SMILES
- CCCCCCCc1ccc(C#N)cc1
- Isomeric SMILES
- CCCCCCCC1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C14H19N/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h8-11H,2-7H2,1H3
- InChIKey
- XTIKBCXMOYZUMG-UHFFFAOYSA-N
- PubChem CID
- 575863
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 4-heptylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-heptylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.