Basic information
- CAS
50765-85-0- Standard SMILES
CC(C)=CCC(C#N)(CC[NH+](C)C)c1ccc2ccccc2c1.[Cl-]- InChIKey
OEEHXSFHUNVJJI-UHFFFAOYSA-N- Molecular formula
- C21H27ClN2
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1862766
Names & identifiers
- Preferred name
- 2-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride
- IUPAC
- (3-cyano-6-methyl-3-naphthalen-2-ylhept-5-enyl)-dimethylazanium chloride
Names & synonyms
2-Naphthaleneacetonitrile, alpha-(2-dimethylaminoethyl)-alpha-(3-methyl-2-butenyl)-, hydrochloride50765-85-0RefChem:1063881alpha-(2-Dimethylaminoethyl)-alpha-prenyl-2-naphthylacetonitrile hydrochlorideNSC 1819432-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-alpha-(3-methyl-2-butenyl)-,monohydrochloride
Database identifiers
- CAS
50765-85-0- PubChem CID
- 39791
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…