Basic information
- CAS
10138-46-2- Standard SMILES
CCNC(=O)CC(C)=O- InChIKey
REYAJCIAOQNQTF-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- N-Ethyl-3-oxobutanamide
- IUPAC
- N-ethyl-3-oxobutanamide
- English name
- N-Ethylacetoacetamide
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
N-Ethyl-3-oxobutanamide10138-46-2N-ethylacetoacetamideN-Ethyl acetoacetamideButanamide, N-ethyl-3-oxo-ACETOACETAMIDE, N-ETHYL-GN725IYQ3QBRN 1754233Ethylamid kyseliny acetoctove [Czech]UNII-GN725IYQ3QEthylamid kyseliny acetoctoveN-ethyl-3-oxo-butanamide
Show more names
N-ethylaceoacetamineEthyl acetoacetalamideN-EthylacetylacetamideAcetoacetyl ethanolamine
SCHEMBL649664SCHEMBL1417216SCHEMBL1417217DTXSID7040108REYAJCIAOQNQTF-UHFFFAOYSA-NMFCD00043819AKOS000165670DB-321140
Database identifiers
- CAS
10138-46-2- PubChem CID
- 24988
- DTXSID
DTXSID7040108- UNII
- GN725IYQ3Q
- Nikkaji
- J38.090C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 282.1 · 282.1±23.0 °C(Predicted)
- Density
- 0.988 · 0.988±0.06 g/cm3(Predicted)
- pka
- 11.98 · 11.98±0.46(Predicted)
- FDA UNII
- 725 IYQ3Q · GN725IYQ3Q
Chemistry & industry
Applications
UsesN-Ethyl-3-oxobutanamide is a reagent used in the preparation of selective A3 Adenosine receptor antagonists.
Suppliers6 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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