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Molecule record

4-pentylbenzonitrile

C12H15N

173.26 g/mol

Loading structure

Molecular properties

Formula
C12H15N
Molar mass
173.26 g·mol−1
Exact mass
173.1204 Da
6
PubChem CID
264951

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

  • 10270-29-8
  • 4-n-Pentylbenzonitrile
  • 4-pentylbenzenecarbonitrile
  • AKOS006230451
  • Benzonitrile, 4-pentyl-
  • CS-0339765
  • DB-058839
  • DTXSID90295221
Show all 23 synonyms
  • FP67463
  • H37725
  • LGPQFJXPPKNHJU-UHFFFAOYSA-N
  • MFCD00218832
  • MS-22028
  • NSC-100672
  • NSC100672
  • SBB059147
  • SCHEMBL1119502
  • SCHEMBL2997975
  • SCHEMBL4826285
  • SCHEMBL7062749
  • SCHEMBL7064058
  • ST51044273
  • p-amylbenzonitrile

Structure identifiers

Canonical SMILES
CCCCCc1ccc(C#N)cc1
Isomeric SMILES
CCCCCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C12H15N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-9H,2-5H2,1H3
InChIKey
LGPQFJXPPKNHJU-UHFFFAOYSA-N
PubChem CID
264951

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-pentylbenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-pentylbenzonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record