Basic information
- CAS
67706-68-7- Standard SMILES
CCOC(=O)CC(=O)CNC(=O)OC(C)(C)C- InChIKey
MFRFJFDLZKHOFX-UHFFFAOYSA-N- Molecular formula
- C11H19NO5
- Average molar mass
- 245.27 g/mol
Names & identifiers
- Preferred name
- 4-((tert-Butoxycarbonyl)amino)-3-oxobutanoic acid ethyl ester
- IUPAC
- ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate
- English name
- TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE
- Molecular formula
- C11H19NO5
- Molecular weight
- 245.27
Names & synonyms
67706-68-74-[(tert-Butoxycarbonyl)amino]-3-oxobutanoic acid ethyl ester4-((tert-Butoxycarbonyl)amino)-3-oxobutanoic acid ethyl esterRefChem:509966870-681-4Ethyl 4-((tert-butoxycarbonyl)amino)-3-oxobutanoateETHYL 4-[(TERT-BUTOXYCARBONYL)AMINO]-3-OXOBUTANOATEMFCD11616704TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE4-(Boc-amino)-3-oxobutanoic acid ethyl esterethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoateethyl 4-(tert-butoxycarbonylamino)-3-oxobutanoate
Show more names
132862Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, ethyl ester
ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxobutanoateSCHEMBL1695195MFRFJFDLZKHOFX-UHFFFAOYSA-NSCA70668AKOS022185452AB64441DS-5971SY107253
Database identifiers
- CAS
67706-68-7
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Light yellow to yellow Liquid
- InChI
- InChI=1S/C11H19NO5/c1-5-16-9(14)6-8(13)7-12-10(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
- InChIKey
- MFRFJFDLZKHOFX-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CC(=O)CNC(OC(C)(C)C)=O
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 310 · H310-H302-H315-H318-H370-H373-H317-H341-H335-H410
- Precautionary statements
- 501 · P501-P273-P272-P260-P270-P262-P202-P201-P271-P264-P280-P391-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P310-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405
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)
Aggregated GHS information provided per 2 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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08,GHS09
- Hazard statements
- H310-H302-H315-H318-H370-H373-H317-H341-H335-H410
- Precautionary statements
- P501-P273-P272-P260-P270-P262-P202-P201-P271-P264-P280-P391-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P310-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers28 total
上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
6 records
Compound notes
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