tert-butyl N-[3-hydroxy-2-(propan-2-yl)propyl]carbamate
Basic information
- CAS
1696524-36-3- Standard SMILES
CC(C)C(CO)CNC(=O)OC(C)(C)C- InChIKey
CBKJDZORBWJUEV-UHFFFAOYSA-N- Molecular formula
- C11H23NO3
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.1677936
Names & identifiers
- Preferred name
- tert-butyl N-[3-hydroxy-2-(propan-2-yl)propyl]carbamate
- IUPAC
- tert-butyl N-[2-(hydroxymethyl)-3-methylbutyl]carbamate
- English name
- tert-butyl N-[3-hydroxy-2-(propan-2-yl)propyl]carbamate
- Molecular formula
- C11H23NO3
- Molecular weight
- 217.30522
Names & synonyms
tert-butyl N-[3-hydroxy-2-(propan-2-yl)propyl]carbamate1696524-36-3tert-butyl N-(3-hydroxy-2-(propan-2-yl)propyl)carbamateRefChem:895975822-832-0tert-butyl N-[2-(hydroxymethyl)-3-methylbutyl]carbamateWSC52436EN300-1273089tert-Butyl (2-(hydroxymethyl)-3-methylbutyl)carbamatetert-butylN-[3-hydroxy-2-(propan-2-yl)propyl]carbamate
Database identifiers
- CAS
1696524-36-3- PubChem CID
- 53397679
- EC Number
- 822-832-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H319-H315-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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