Basic information
- CAS
1793108-54-9- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(C=CC(=O)C2)CC1- InChIKey
KWQVEGBPAIRQQJ-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- Tert-butyl 3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
- IUPAC
- tert-butyl 2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate
- English name
- 8-Azaspiro[4.5]dec-1-ene-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
- Molecular formula
- C14H21NO3
- Molecular weight
- 251.32
Names & synonyms
tert-Butyl 3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate1793108-54-9tert-butyl 3-oxo-8-azaspiro(4.5)dec-1-ene-8-carboxylateRefChem:893456892-269-3tert-butyl 2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylatestarbld0026528SCHEMBL14297529TWC10854CS-0137422EN300-364549G86662
Show more names
8-Azaspiro[4.5]dec-1-ene-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
F619006
Database identifiers
- CAS
1793108-54-9- PubChem CID
- 22975813
- EC Number
- 892-269-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 373.3 · 373.3±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- -0.79 · -0.79±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
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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
江西领克生物医药有限公司19880392117 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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