1-Azabicyclo(3.3.2)nonan-2-one
Basic information
- CAS
74331-49-0- Standard SMILES
O=C1CCC2CCCN1C2- InChIKey
LQWWDNCXHUPJLQ-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- 1-Azabicyclo(3.3.2)nonan-2-one
- IUPAC
- 1-azabicyclo[3.3.1]nonan-2-one
- English name
- 1-Azabicyclo[3.3.2]nonan-2-one
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19
Names & synonyms
74331-49-01-Azabicyclo(3.3.2)nonan-2-one1-Azabicyclo[3.3.2]nonan-2-oneRefChem:2276401-azabicyclo[3.3.1]nonan-2-oneazabicyclo[3.3.1]nonanoneSCHEMBL2778564DTXSID609958471-azabicyclo[3.3.1]nonan-8-oneAKOS034045724EN300-391795G53760
Show more names
Z1509062698
Database identifiers
- CAS
74331-49-0- PubChem CID
- 144646
- DTXSID
DTXSID60995847- EC Number
- 116-104-5
- Nikkaji
- J513.916C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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