Basic information
- CAS
64304-22-9- Standard SMILES
CCCC[NH+]1CC2CC(CN(Cc3ccccc3)C2)C1.[Cl-]- InChIKey
SUBWDUGBQLRTAT-UHFFFAOYSA-N- Molecular formula
- C18H29ClN2
- Average molar mass
- 308.9 g/mol
- Monoisotopic mass
- 308.2019266
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride
- IUPAC
- 3-benzyl-7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonane chloride
Names & synonyms
3-Benzyl-7-butylbispidine hydrochloride3-Benzyl-7-butyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride3,7-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-7-BUTYL-, HYDROCHLORIDE64304-22-9RefChem:272518
Database identifiers
- CAS
64304-22-9- PubChem CID
- 47338
Properties
Computed structural properties
- Topological polar surface area
- 7.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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