Basic information
- CAS
52807-80-4- Standard SMILES
C[NH+](C)C[C@@H]1C2CCC(CC2)C1c1ccc(Cl)cc1.[Cl-]- InChIKey
XSVWOQCHFVBDNK-YXRIWLDLSA-N- Molecular formula
- C17H25Cl2N
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 313.1364052
Names & identifiers
- Preferred name
- Bicyclo(2.2.2)octane-2-methylamine, 3-(p-chlorophenyl)-N,N-dimethyl-, hydrochloride, (E)-
- IUPAC
- [(2R)-3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride
Names & synonyms
(E)-2-(p-Chlorophenyl)-3-(dimethylaminomethyl)bicyclo(2.2.2)octane, hydrochlorideBicyclo(2.2.2)octane-2-methylamine, 3-(p-chlorophenyl)-N,N-dimethyl-, hydrochloride, (E)-52807-80-4RefChem:329289
Database identifiers
- CAS
52807-80-4- PubChem CID
- 40535
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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