2-Methyl-2-(3-methylphenyl)propanenitrile

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Basic information

CAS: 30568-27-5
Standard SMILES: Cc1cccc(C(C)(C)C#N)c1
InChIKey: FBJGVJKISFKABO-UHFFFAOYSA-N
Molecular formula: C11H13N
Average molar mass: 159.23 g/mol
Monoisotopic mass: 159.10479942

Names & identifiers

Preferred name: 2-Methyl-2-(3-methylphenyl)propanenitrile
IUPAC: 2-methyl-2-(3-methylphenyl)propanenitrile

Names & synonyms

2-methyl-2-(3-methylphenyl)propanenitrile30568-27-52-Methyl-2-(m-tolyl)propanenitrileNSC245164SCHEMBL2442297DTXSID403117632-Methyl-2-(m-tolyl)propionitrile2-methyl-2-(m-tolyl)-propionitrileHS-3574NSC-245164DS-010092BENZENEACETONITRILE, A,A,3-TRIMETHYL-

Show more names

EN300-1828908

Database identifiers

CAS: 30568-27-5
PubChem CID: 316784
DTXSID: DTXSID40311763
Nikkaji: J1.259.849A

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 196

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Compound notes

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