Molecular properties
- Formula
- C10H11N
- Molar mass
- 145.20 g·mol−1
- Exact mass
- 145.0891 Da
- 6
- PubChem CID
- 10920642
Molecule record
2-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
- 2-(1-Methylethyl)benzonitrile
- 2-isopropylbenzonitrile
- 40751-52-8
- Benzonitrile, 2-(1-methylethyl)-
- DTXCID70399115
- DTXSID30448294
- LRKBACPCJTXJNF-UHFFFAOYSA-N
- MFCD09999701
Show all 16 synonyms
- RefChem:349837
- SCHEMBL16797798
- SCHEMBL16952419
- SCHEMBL254017
- SCHEMBL29835035
- SCHEMBL5537035
- SCHEMBL8687055
- isopropylbenzonitrile
Structure identifiers
- Canonical SMILES
- CC(C)c1ccccc1C#N
- Isomeric SMILES
- CC(C)C1=CC=CC=C1C#N
- InChI
- InChI=1S/C10H11N/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6,8H,1-2H3
- InChIKey
- LRKBACPCJTXJNF-UHFFFAOYSA-N
- PubChem CID
- 10920642
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 2-propan-2-ylbenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-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.