1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride
Basic information
- CAS
111897-07-5- Standard SMILES
[Cl-].c1cc2c(cc1CC1CC3CC[NH+]1CC3)OCO2- InChIKey
LNBXDCSOFJIZJF-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO2
- Average molar mass
- 281.78 g/mol
- Monoisotopic mass
- 281.1182566
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octane, 2-(1,3-benzodioxol-5-ylmethyl)-, hydrochloride
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride
Names & synonyms
2-(3,4-Methylenedioxybenzyl)quinuclidine hydrochloride2-(1,3-Benzodioxol-5-ylmethyl)-1-azabicyclo(2.2.2)octane hydrochloride1-AZABICYCLO(2.2.2)OCTANE, 2-(1,3-BENZODIOXOL-5-YLMETHYL)-, HYDROCHLORIDE111897-07-5RefChem:227615
Database identifiers
- CAS
111897-07-5- PubChem CID
- 60529
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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