4-(Dimethylamino)-2-methyl-2-phenylbutanenitrile
Basic information
- CAS
2809-43-0- Standard SMILES
CN(C)CCC(C)(C#N)c1ccccc1- InChIKey
HQHDICLYVMSIDG-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-2-methyl-2-phenylbutanenitrile
- IUPAC
- 4-(dimethylamino)-2-methyl-2-phenylbutanenitrile
- English name
- 4-(Dimethylamino)-2-methyl-2-phenylbutanenitrile
- Molecular formula
- C13H18N2
- Molecular weight
- 202.3
Names & synonyms
4-(dimethylamino)-2-methyl-2-phenylbutanenitrile2809-43-0DTXSID80950817RefChem:1070101DTXCID40873018BRN 28074324-(Dimethylamino)-2-methyl-2-phenylbutyronitrileBUTYRONITRILE, 4-(DIMETHYLAMINO)-2-METHYL-2-PHENYL-Benzeneacetonitrile, α-[2-(dimethylamino)ethyl]-α-methyl-
Database identifiers
- CAS
2809-43-0- PubChem CID
- 17758
- DTXSID
DTXSID80950817- Nikkaji
- J42.928G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
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Related reactions
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Compound notes
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