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Molecule record

4-propylbenzonitrile

C10H11N

145.20 g/mol

Loading structure

Molecular properties

Formula
C10H11N
Molar mass
145.20 g·mol−1
Exact mass
145.0891 Da
6
PubChem CID
12780019

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

  • 4-n-Propylbenzonitrile
  • 4-propylbenzenecarbonitrile
  • 60484-66-4
  • AKOS022173979
  • CS-0377315
  • DB-053630
  • DTXCID70460475
  • DTXSID40509668
Show all 16 synonyms
  • MFCD00799349
  • RefChem:295974
  • SBB059145
  • SCHEMBL16954973
  • SCHEMBL838946
  • SCHEMBL885099
  • SCHEMBL9027238
  • ST51044272

Structure identifiers

Canonical SMILES
CCCc1ccc(C#N)cc1
Isomeric SMILES
CCCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H11N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,2-3H2,1H3
InChIKey
HEIAAGNBEHLVCZ-UHFFFAOYSA-N
PubChem CID
12780019

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-propylbenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-propylbenzonitrile; 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