tert-Butyl ((3-acetylisoxazol-5-yl)methyl)carbamate
Basic information
- CAS
2995285-57-7- Standard SMILES
CC(=O)c1cc(CNC(=O)OC(C)(C)C)on1- InChIKey
OUMUAPUMJGDXQF-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.111007
Names & identifiers
- Preferred name
- tert-Butyl ((3-acetylisoxazol-5-yl)methyl)carbamate
- IUPAC
- tert-butyl N-[(3-acetyl-1,2-oxazol-5-yl)methyl]carbamate
Names & synonyms
2995285-57-7tert-butyl N-[(3-acetyl-1,2-oxazol-5-yl)methyl]carbamatetert-Butyl ((3-acetylisoxazol-5-yl)methyl)carbamate
Database identifiers
- CAS
2995285-57-7- PubChem CID
- 177802000
- EC Number
- 180-514-0
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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