Molecular properties
- Formula
- C10H11N
- Molar mass
- 145.20 g·mol−1
- Exact mass
- 145.0891 Da
- 6
- PubChem CID
- 26289
Molecule record
4-propan-2-ylbenzonitrile
C10H11N
145.20 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
- 13816-33-6
- 237-492-3
- 3-Isopropylbenzonitrile
- 4-(1-Methylethyl)benzonitrile
- 4-(methylethyl)benzenecarbonitrile
- 4-09-00-01846 (Beilstein Handbook Reference)
- 4-Isopropylbenzonitrile
- 4V31KQF934
Show all 24 synonyms
- BENZONITRILE, p-ISOPROPYL-
- BRN 1932883
- Benzonitrile, 4-(1-methylethyl)-
- CUMINYLNITRILE
- Cuminic nitrile
- Cuminonitrile
- Cuminyl nitrile
- DTXCID4027440
- DTXSID6047440
- EINECS 237-492-3
- MFCD00052966
- RefChem:99502
- UNII-4V31KQF934
- YFDJCWXBKWRDPW-UHFFFAOYSA-N
- p-Cyanocumene
- p-Isopropylbenzonitrile
Structure identifiers
- Canonical SMILES
- CC(C)c1ccc(C#N)cc1
- Isomeric SMILES
- CC(C)C1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3
- InChIKey
- YFDJCWXBKWRDPW-UHFFFAOYSA-N
- PubChem CID
- 26289
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-propan-2-ylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-propan-2-ylbenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.