4-(Dimethylamino)-2-ethyl-2-phenylbutanenitrile
Basic information
- CAS
2809-44-1- Standard SMILES
CCC(C#N)(CCN(C)C)c1ccccc1- InChIKey
FUTYMWBLUNRHIR-UHFFFAOYSA-N- Molecular formula
- C14H20N2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.16264865
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-2-ethyl-2-phenylbutanenitrile
- IUPAC
- 4-(dimethylamino)-2-ethyl-2-phenylbutanenitrile
- English name
- 4-dimethylamino-2-ethyl-2-phenyl-butanenitrile
- Molecular formula
- C14H20N2
- Molecular weight
- 216.32
Names & synonyms
2809-44-14-(dimethylamino)-2-ethyl-2-phenylbutanenitrileDTXSID40950818RefChem:1070100DTXCID8013789614-(Dimethylamino)-2-ethyl-2-phenylbutyronitrileBRN 2808707BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-ETHYL-2-PHENYL-4-14-00-01752 (Beilstein Handbook Reference)SCHEMBL102436352-ethyl-4-dimethylamino-2-phenyl-butyronitrile4-dimethylamino-2-ethyl-2-phenyl-butanenitrile
Show more names
Benzeneacetonitrile, α-[2-(dimethylamino)ethyl]-α-ethyl-
Database identifiers
- CAS
2809-44-1- PubChem CID
- 17759
- DTXSID
DTXSID40950818- Nikkaji
- J42.926K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 131 · 131-133 °C(Press: 4.0 Torr)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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