3-Azabicyclo[5.1.0]octan-2-one
Basic information
- CAS
1314908-32-1- Standard SMILES
O=C1NCCCC2CC12- InChIKey
DVWHSXMLXWOZGV-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 3-Azabicyclo[5.1.0]octan-2-one
- IUPAC
- 3-azabicyclo[5.1.0]octan-2-one
Names & synonyms
3-AZABICYCLO[5.1.0]OCTAN-2-ONE1314908-32-1MFCD19225758AKOS006378057AT45211SY469018
Database identifiers
- CAS
1314908-32-1- PubChem CID
- 55299554
- EC Number
- 173-063-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
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, P317, 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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