Basic information
- CAS
162184-58-9- Standard SMILES
O=C1CN2CCCC1C2- InChIKey
WFYPDOYHAZFTIR-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- 1-Azabicyclo[3.2.1]octan-6-one
- IUPAC
- 1-azabicyclo[3.2.1]octan-6-one
- English name
- 1-Azabicyclo[3.2.1]octan-6-one,(1S,5R)-(9CI)
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
1-azabicyclo[3.2.1]octan-6-one45675-76-1162184-58-9DTXSID003292031-azabicyclo(3.2.1)octan-6-oneRefChem:227635DTXCID00280305816-426-2NCIOpen2_0021751-Azabicyclo[3.2.1]octan-6-one,(1S,5R)-(9CI)SCHEMBL1297748WFYPDOYHAZFTIR-UHFFFAOYSA-N
Show more names
(5R)-1-azabicyclo[3.2.1]octane-6-one1-Azabicyclo[3.2.1]octan-6-one, (1S,5R)-
VBA675761-aza-bicyclo[3.2.1]octan-6-one1-azabicyclo [3.2.1]octan-6-oneAKOS022902723AB93510(+) 1-azabicyclo[3.2.1]octan-6-one(+/-)1-azabicyclo[3.2.1]octan-6-one(+/-) 1-azabicyclo[3.2.1]octan-6-one
Database identifiers
- CAS
162184-58-9、45675-76-1- PubChem CID
- 418347
- DTXSID
DTXSID00329203- EC Number
- 816-426-2
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 204.9 · 204.9±23.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 6.38 · 6.38±0.20(Predicted)
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers6 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
39 records
Compound notes
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