Molecular properties
- Formula
- C11H13N
- Molar mass
- 159.23 g·mol−1
- Exact mass
- 159.1048 Da
- 6
- PubChem CID
- 140730
Molecule record
4-butylbenzonitrile
C11H13N
159.23 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-Butyl-4-cyanobenzene
- 20651-73-4
- 4-(n-butyl)benzonitrile
- 4-Butylbenzonitrile #
- 4-Butylbenzonitrile, 98%
- 4-Butylbenzonitrile,98%
- 4-N-BUTYLBENZONITRILE 98%
- 4-butyl-benzonitrile
Show all 24 synonyms
- 4-butylbenzenecarbonitrile
- 4-n-Butylbenzonitrile,98%
- 623-190-2
- A814768
- Benzonitrile, 4-butyl-
- Benzonitrile,4-butyl-
- DTXCID8097184
- DTXSID40174693
- KGZNJCXNPLUEQS-UHFFFAOYSA-N
- MFCD00052345
- RefChem:98251
- SCHEMBL1119458
- SCHEMBL3753968
- SCHEMBL5331059
- SCHEMBL6327803
- p-Butylbenzonitrile
Structure identifiers
- Canonical SMILES
- CCCCc1ccc(C#N)cc1
- Isomeric SMILES
- CCCCC1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
- InChIKey
- KGZNJCXNPLUEQS-UHFFFAOYSA-N
- PubChem CID
- 140730
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-butylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-butylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.