Basic information
- CAS
14795-40-5- Standard SMILES
CC(C)C(C#N)(CCN(C)C)c1ccc(C(C)(C)C)cc1- InChIKey
JPHFYCRSFWQNLY-UHFFFAOYSA-N- Molecular formula
- C19H30N2
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.24089897
Names & identifiers
- Preferred name
- Butyronitrile, 2-(p-tert-butylphenyl)-4-(dimethylamino)-2-isopropyl-
- IUPAC
- 2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
Names & synonyms
BRN 21351032-(p-tert-Butylphenyl)-4-(dimethylamino)-2-isopropylbutyronitrile14795-40-5BUTYRONITRILE, 2-(p-tert-BUTYLPHENYL)-4-(DIMETHYLAMINO)-2-ISOPROPYL-RefChem:331347DTXSID509332532-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
Database identifiers
- CAS
14795-40-5- PubChem CID
- 26908
- DTXSID
DTXSID50933253
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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