Basic information
- CAS
52454-09-8- Standard SMILES
C[NH+](C)[C@@H]1CC[C@@](C#N)(c2ccccc2)c2ccccc21.[Cl-]- InChIKey
KXEHYHACSHCZFC-STYNFMPRSA-N- Molecular formula
- C19H21ClN2
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.1393264
Names & identifiers
- Preferred name
- 1-Naphthonitrile, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, hydrochloride, (Z)-
- IUPAC
- [(1R,4R)-4-cyano-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-dimethylazanium chloride
Names & synonyms
52454-09-81-Naphthonitrile, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, hydrochloride, (Z)-RefChem:1056055cis-1,2,3,4-Tetrahydro-4-cyano-1-dimethylamino-4-phenylnaphthalene hydrochloride1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, hydrochloride, (Z)-
Database identifiers
- CAS
52454-09-8- PubChem CID
- 40388
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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