2-Benzyl-6-oxa-2-azabicyclo[3.2.1]octan-7-one
Basic information
- CAS
133192-43-5- Standard SMILES
O=C1OC2CCN(Cc3ccccc3)C1C2- InChIKey
QAQFBKCSARAZMH-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 2-Benzyl-6-oxa-2-azabicyclo[3.2.1]octan-7-one
- IUPAC
- 2-benzyl-6-oxa-2-azabicyclo[3.2.1]octan-7-one
- English name
- 2-benzyl-6-oxa-2-azabicyclo[3.2.1]octan-7-one
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
2-benzyl-6-oxa-2-azabicyclo[3.2.1]octan-7-one133192-43-5MFCD237013826-Oxa-2-azabicyclo[3.2.1]octan-7-one, 2-(phenylmethyl)-SCHEMBL1875616DTXSID20565020AKOS0158391922-benzyl-6-oxa-2-aza-bicyclo[3.2.1]octan-7-one4-benzyl-7-oxa-4-azabicyclo[3.2.1]octan-6-one
Database identifiers
- CAS
133192-43-5- PubChem CID
- 14890232
- DTXSID
DTXSID20565020- Nikkaji
- J1.394.257I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 370.7 · 370.7±25.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.02 · 7.02±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…