Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-
Basic information
- CAS
14780-13-3- Standard SMILES
CC(C)c1ccc(C(C#N)(CCN(C)C)C(C)C)cc1- InChIKey
KTUSQCQBTLVXLJ-UHFFFAOYSA-N- Molecular formula
- C18H28N2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.2252489
Names & identifiers
- Preferred name
- Butyronitrile, 2-(p-cumenyl)-4-(dimethylamino)-2-isopropyl-
- IUPAC
- 2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propan-2-ylphenyl)butanenitrile
Names & synonyms
BRN 21279252-(p-Cumenyl)-4-(dimethylamino)-2-isopropylbutyronitrile14780-13-3BUTYRONITRILE, 2-(p-CUMENYL)-4-(DIMETHYLAMINO)-2-ISOPROPYL-RefChem:331346DTXSID709332152-[2-(dimethylamino)ethyl]-3-methyl-2-[4-(propan-2-yl)phenyl]butanenitrile
Database identifiers
- CAS
14780-13-3- PubChem CID
- 26893
- DTXSID
DTXSID70933215
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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