Basic information
- CAS
631-66-3- Standard SMILES
CC(=O)C(N)=O- InChIKey
FPOLWERNILTNDK-UHFFFAOYSA-N- Molecular formula
- C3H5NO2
- Average molar mass
- 87.08 g/mol
- Monoisotopic mass
- 87.0320284
Names & identifiers
- Preferred name
- Pyruvamide
- IUPAC
- 2-oxopropanamide
- English name
- pyruvamide
- Molecular formula
- C3H5NO2
- Molecular weight
- 87.08
Names & synonyms
Pyruvamide631-66-3Propanamide, 2-oxo-DTXSID90212433P4O9E1R444NSC-349134RefChem:177968DTXCID901349242-oxopropanamideMFCD02666017UNII-P4O9E1R444acetylcarboxamide
Show more names
Pyruvic acid amide1-Amino-1,2-propanedione
1qpbFPOLWERNILTNDK-UHFFFAOYSA-NNSC 349134SCHEMBL598557SCHEMBL940641QSPL 105SCHEMBL7438940SCHEMBL9106514
Database identifiers
- CAS
631-66-3- PubChem CID
- 79088
- DTXSID
DTXSID90212433- UNII
- P4O9E1R444
- EC Number
- 840-965-2
- Nikkaji
- J6.894B
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 86
Physicochemical properties
- Melting point
- 123 · 123-124 °C
- Boiling point
- 175.8 · 175.8±23.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.50(Predicted)
- FDA UNII
- 4 O9E1R444 · P4O9E1R444
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
3 records
Compound notes
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