Basic information
- CAS
178419-45-9- Standard SMILES
O=C1NCC2(CN3CCC2CC3)O1- InChIKey
TYAGAVRSOFABFO-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one
- IUPAC
- spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
- English name
- Spiro[1-azabicyclo[2.2.2]octane-3,5-oxazolidin]-2-one (9CI)
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
178419-45-9Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-oneSpiro(1-azabicyclo(2.2.2)octane-3,5'-oxazolidin)-2'-oneRefChem:3808264-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-onespiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-oneCHEMBL2939754-azaspiro[bicyclo[2.2.2]octane-2,5'-oxazolidin]-2'-oneSCHEMBL829499(-)-Spiro[1-azabicyclo[2.2.2]octane-3,5''-oxazolidin-2''-one]DTXSID004317744-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidin]-5'-one
Show more names
1’-Azaspiro[oxazolidine-5,3’-bicyclo[2.2.2]octan]-2-one
DHA41945Spiro[1-azabicyclo[2.2.2]octane-3,5-oxazolidin]-2-one (9CI)BDBM50093255MFCD21266569AKOS014925257EBC-182233SY163752EN300-189988
Database identifiers
- CAS
178419-45-9- PubChem CID
- 9852730
- DTXSID
DTXSID00431774- ChEMBL
CHEMBL293975- EC Number
- 983-243-3
- Nikkaji
- J1.395.400C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 411.7 · 411.7±34.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 12.41 · 12.41±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
13 records
Compound notes
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