Basic information
- CAS
1412433-64-7- Standard SMILES
CS(=O)(=O)N1C2CCC1CC(=O)C2- InChIKey
NIHTWNYVIFCTAN-UHFFFAOYSA-N- Molecular formula
- C8H13NO3S
- Average molar mass
- 203.26 g/mol
- Monoisotopic mass
- 203.06161445
Names & identifiers
- Preferred name
- 8-Methanesulfonyl-8-azabicyclo[3.2.1]octan-3-one
- IUPAC
- 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one
Names & synonyms
8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-one1412433-64-78-methanesulfonyl-8-azabicyclo(3.2.1)octan-3-oneRefChem:548189861-908-88-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-oneSCHEMBL13740726AKOS031955209EN300-3957408-(Methylsulfonyl)-8-azabicyclo[3.2.1]Octan-3-oneZ1509114034
Database identifiers
- CAS
1412433-64-7- PubChem CID
- 70984635
- EC Number
- 861-908-8
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 314
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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