Basic information
- CAS
1087043-97-7- Standard SMILES
C#CC1COC(C)(C)N1C(=O)OC(C)(C)C- InChIKey
DPZQSYOKTUMHNY-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
- IUPAC
- tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Names & synonyms
1087043-97-7tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylateRefChem:894016964-858-6tert-Butyl 4-ethynyl-2,2-dimethyloxazolidine-3-carboxylateMFCD16620634(S)-tert-Butyl 4-ethynyl-2,2-dimethyloxazolidine-3-carboxylate(R)-2,2-Dimethyl-3-(N-Boc)-4-ethynyl-oxazolidineSCHEMBL1833726MTB04397AKOS026716718SB45427
Show more names
3-Boc-4-ethynyl-2,2-dimethyloxazolidineAS-48419SY244452DB-064441DB-064896DB-371984F30854EN300-7419796
Database identifiers
- CAS
1087043-97-7- PubChem CID
- 18366143
- EC Number
- 964-858-6
- Nikkaji
- J2.899.628D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Safety & regulation
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
4 records
Compound notes
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