1-[(1S,6S)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
Basic information
- CAS
92142-32-0- Standard SMILES
CC(=O)C1=CCC[C@H]2CC[C@@H]1N2- InChIKey
SGNXVBOIDPPRJJ-WPRPVWTQSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 1-[(1S,6S)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
- IUPAC
- 1-[(1S,6S)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
- English name
- (-) ANATOXIN-A FUMARATE
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
1-[(1S,6S)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone1-[(1S,6S)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethan-1-one(-)-Anatoxin aorb3179748SCHEMBL29484643Ethanone, 1-[(1S,6S)-9-azabicyclo[4.2.1]non-2-en-2-yl]-,(2E)-2-butenedioate (1:1)(-)-ANATOXIN-A FUMARATE ((-)-ANTX-A FUMA RATE)(-)-ANATOXIN-A FUMARATE ((-)-ANTX-A FUMA RATE)1-((1S,6S)-9-Azabicyclo(4.2.1)non-4-en-5-yl)ethanoneEthanone, 1-(1S,6S)-9-azabicyclo[4.2.1]non-2-en-2-yl-Ethanone, 1-(1S,6S)-9-azabicyclo[4.2.1]non-2-en-2-yl- (9CI)
Database identifiers
- CAS
92142-32-0- PubChem CID
- 185149
- DTXSID
DTXSID40919349- Nikkaji
- J330.052H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Applications
Uses(-)-Anatoxin A is an effective agonist at low micromolar concentrations on acetylcholine receptor-ion channel activation and blockade.
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Compound notes
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