1-Naphthaleneacetonitrile, alpha-(4-(dimethylamino)butyl)-
Basic information
- CAS
6534-43-6- Standard SMILES
CN(C)CCCCC(C#N)c1cccc2ccccc12- InChIKey
LFNPPWLZMLORFR-UHFFFAOYSA-N- Molecular formula
- C18H22N2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.17829871
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-(4-(dimethylamino)butyl)-
- IUPAC
- 6-(dimethylamino)-2-naphthalen-1-ylhexanenitrile
Names & synonyms
6534-43-61-NAPHTHALENEACETONITRILE, alpha-(4-(DIMETHYLAMINO)BUTYL)-RefChem:1055959alpha-(4-Dimethylaminobutyl)-1-naphthylacetonitrileBRN 28562836-(Dimethylamino)-2-(naphthalen-1-yl)hexanenitrileDTXSID00983965
Database identifiers
- CAS
6534-43-6- PubChem CID
- 23033
- DTXSID
DTXSID00983965- Nikkaji
- J85.509J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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