3-Azabicyclo(3.2.1)octane, 3-(p-chlorobenzyl)-1,8,8-trimethyl-, hydrochloride
Basic information
- CAS
1220-30-0- Standard SMILES
CC12CCC(C[NH+](Cc3ccc(Cl)cc3)C1)C2(C)C.[Cl-]- InChIKey
ANYGCNJUFCTLQU-UHFFFAOYSA-N- Molecular formula
- C17H25Cl2N
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 313.1364052
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.2.1)octane, 3-(p-chlorobenzyl)-1,8,8-trimethyl-, hydrochloride
- IUPAC
- 3-[(4-chlorophenyl)methyl]-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octane chloride
Names & synonyms
3-(p-Chlorobenzyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane hydrochloride1220-30-03-AZABICYCLO(3.2.1)OCTANE, 3-(p-CHLOROBENZYL)-1,8,8-TRIMETHYL-, HYDROCHLORIDERefChem:276743
Database identifiers
- CAS
1220-30-0- PubChem CID
- 14646
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
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