Basic information
- CAS
5411-58-5- Standard SMILES
CCOC(=O)C(=O)N(CC)CC- InChIKey
VABKVSWGYZESTA-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- Ethyl N,N-diethyloxamate
- IUPAC
- ethyl 2-(diethylamino)-2-oxoacetate
- English name
- Ethyl N,N-diethyloxamate
- Molecular formula
- C8H15NO3
- Molecular weight
- 173.21
Names & synonyms
5411-58-5Ethyl N,N-diethyloxamateethyl 2-(diethylamino)-2-oxoacetateEthyl diethyl oxamateEthyl (diethylamino)(oxo)acetateEthyl NN-diethyloxamateMFCD00026836Acetic acid, (diethylamino)oxo-, ethyl esterethyl (diethylcarbamoyl)formateethyl (N,N-diethylcarbamoyl)formateTIMTEC-BB SBB007933N,N-Diethyloxamidic acid ethyl ester
Show more names
ethyl 2-(diethylamino)-2-oxo-ethanoate2-diethylamino-2-oxoacetic acid ethyl ester
ethyl-N,N-diethyloxamateSCHEMBL2566339CHEMBL4780928DTXSID10202457NISTC5411585N,N-Diethyloxamic acid ethyl esterALBB-014633Ethyl (diethylamino)(oxo)acetate #
Database identifiers
- CAS
5411-58-5- PubChem CID
- 138489
- DTXSID
DTXSID10202457- ChEMBL
CHEMBL4780928- Nikkaji
- J44.181C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 250 °C · 250 °C
- Density
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- pka
- -1.34 · -1.34±0.70(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
6 records
Compound notes
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