4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile
Basic information
- CAS
3582-41-0- Standard SMILES
CN(C)CCC(C#N)c1ccc2ccccc2c1- InChIKey
QEDVOUKKGFBBBD-UHFFFAOYSA-N- Molecular formula
- C16H18N2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.14699858
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile
- IUPAC
- 4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile
- English name
- α-[2-(Dimethylamino)ethyl]-2-naphthaleneacetonitrile
- Molecular formula
- C16H18N2
- Molecular weight
- 238.32752
Names & synonyms
3582-41-0DTXSID209572294-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrileRefChem:1070099DTXCID201385172alpha-(2-Dimethylaminoethyl)-2-naphthylacetonitrileBRN 2740813Butyronitrile, 4-dimethylamino-2-(2-naphthyl)-2-NAPHTHALENEACETONITRILE, alpha-(2-(DIMETHYLAMINO)ETHYL)-α-[2-(Dimethylamino)ethyl]-2-naphthaleneacetonitrile
Database identifiers
- CAS
3582-41-0- PubChem CID
- 19158
- DTXSID
DTXSID20957229- Nikkaji
- J42.404H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…