Basic information
- CAS
1873374-46-9- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](O)C(C)(C)C1- InChIKey
QFAFFVWCMNEYAN-QMMMGPOBSA-N- Molecular formula
- C11H21NO3
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.15214353
Names & identifiers
- Preferred name
- tert-butyl (4R)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (4R)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
Names & synonyms
1873374-46-9tert-butyl (4R)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylatetert-butyl (4R)-4-hydroxy-3,3-dimethyl-pyrrolidine-1-carboxylateSCHEMBL17499914QFAFFVWCMNEYAN-QMMMGPOBSA-NDTXSID401128166TERT-BUTYL (R)-4-HYDROXY-3,3-DIMETHYLPYRROLIDINE-1-CARBOXYLATEAT27295DB-086204EN300-37139019tert-butyl-(R)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl ester, (4R)-
Database identifiers
- CAS
1873374-46-9- PubChem CID
- 118868340
- DTXSID
DTXSID401128166- EC Number
- 154-124-6
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
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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