Basic information
- CAS
62373-90-4- Standard SMILES
C[NH2+]C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1.[Cl-]- InChIKey
UJDZTUBJBIXAGT-QYTBXVMCSA-N- Molecular formula
- C16H22Cl3N
- Average molar mass
- 334.7 g/mol
- Monoisotopic mass
- 333.081783
Names & identifiers
- Preferred name
- Bicyclo(2.2.2)octane-2-methylamine, 3-(3,4-dichlorophenyl)-N-methyl-, hydrochloride, (Z)-
- IUPAC
- [(2R,3S)-3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride
Names & synonyms
Bicyclo(2.2.2)octane-2-methylamine, 3-(3,4-dichlorophenyl)-N-methyl-, hydrochloride, (Z)-cis-2-(3,4-Dichlorophenyl)-3-methylaminomethylbicyclo(2.2.2)octane, hydrochloride62373-90-4RefChem:329283
Database identifiers
- CAS
62373-90-4- PubChem CID
- 44017
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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