tert-Butyl (4-oxobutan-2-yl)carbamate
Basic information
- CAS
186743-06-6- Standard SMILES
CC(CC=O)NC(=O)OC(C)(C)C- InChIKey
GIQHYOAEOMSKKV-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (4-oxobutan-2-yl)carbamate
- IUPAC
- tert-butyl N-(4-oxobutan-2-yl)carbamate
- English name
- Carbamic acid, (1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
tert-Butyl (4-oxobutan-2-yl)carbamate186743-06-6tert-butyl N-(4-oxobutan-2-yl)carbamateMFCD24468160Carbamic acid, (1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI)Butanal, 3-[(tert-butyloxycarbonyl)amino]-tert-butyl N-(1-methyl-3-oxo-propyl)carbamateSCHEMBL73696SCHEMBL6326266GIQHYOAEOMSKKV-UHFFFAOYSA-NTEA17326AKOS027401307
Show more names
Carbamic acid, N-(1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester
tert-Butyl(4-oxobutan-2-yl)carbamateSB44252DS-18807(S)-tert-Butyl(4-oxobutan-2-yl)carbamatetert-Butyl 1-methyl-3-oxopropylcarbamate #C73586F540274
Database identifiers
- CAS
186743-06-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 279.9 · 279.9±23.0 °C(Predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- pka
- 12.11 · 12.11±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Compound notes
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