Basic information
- CAS
52371-46-7- Standard SMILES
C[NH+](C)[C@@H]1CC[C@](C#N)(c2ccccc2)c2ccccc21.[Cl-]- InChIKey
KXEHYHACSHCZFC-VOMIJIAVSA-N- Molecular formula
- C19H21ClN2
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.1393264
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-1-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile--hydrogen chloride (1/1)
- IUPAC
- [(1R,4S)-4-cyano-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-dimethylazanium chloride
Names & synonyms
52371-46-7DTXSID609667594-(Dimethylamino)-1-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile--hydrogen chloride (1/1)RefChem:1070090DTXCID3013943801-Naphthonitrile, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, hydrochloride, (E)-trans-1,2,3,4-Tetrahydro-4-cyano-1-dimethylamino-4-phenylnaphthalene hydrochloride1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, hydrochloride, (E)-
Database identifiers
- CAS
52371-46-7- PubChem CID
- 40334
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
Loading…