tert-butyl N-(2-oxopropyl)carbamate
Basic information
- CAS
170384-29-9- Standard SMILES
CC(=O)CNC(=O)OC(C)(C)C- InChIKey
OZGMUQGCAFEQOX-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- tert-butyl N-(2-oxopropyl)carbamate
- IUPAC
- tert-butyl N-(2-oxopropyl)carbamate
- English name
- Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C8H15NO3
- Molecular weight
- 173.21
Names & synonyms
tert-butyl N-(2-oxopropyl)carbamateRefChem:895775808-800-9170384-29-9tert-Butyl (2-oxopropyl)carbamate(2-Oxopropyl)carbamic acid tert-butyl estertert-butyl N-acetonylcarbamatetert-Butyl 2-oxopropylcarbamateMFCD106986781-(Boc-amino)-2-propanone1-(Boc-amino)-2-oxopropaneNSC617629
Show more names
Boc-Gly-MeBoc-aminoacetoneN-Boc-1-aMinopropan-2-onetert-Butyl-(2-oxopropyl)carbamat
(2-Oxo-propyl)-carbamic acid tert-butyl ester(2-Oxo-propyl)-cCarbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)SCHEMBL959018SCHEMBL7169131CHEMBL1966029tert-Butyl(2-oxopropyl)carbamateDTXSID10326829
Database identifiers
- CAS
170384-29-9- PubChem CID
- 357955
- DTXSID
DTXSID10326829- ChEMBL
CHEMBL1966029- EC Number
- 808-800-9
- Nikkaji
- J1.612.950J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 48 · 48-49 °C
- Boiling point
- 80 · 80-85 °C(Press: 0.1 Torr)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 11.18 · 11.18±0.46(Predicted)
- form
- liquid
- color
- Light yellow
- InChI
- InChI=1S/C8H15NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h5H2,1-4H3,(H,9,11)
- InChIKey
- OZGMUQGCAFEQOX-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NCC(=O)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H412
- Precautionary statements
- 273 · P273
- Hazard Codes
- Xn
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]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924297099
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H412
- Precautionary statements
- P273
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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