Basic information
- CAS
763-57-5- Standard SMILES
CC(=O)CC(=O)NC(N)=O- InChIKey
XSTSHBWKUKSVEP-UHFFFAOYSA-N- Molecular formula
- C5H8N2O3
- Average molar mass
- 144.13 g/mol
- Monoisotopic mass
- 144.05349212
Overview
See also: Butanamide, N-(aminocarbonyl)-3-oxo- (annotation moved to).
Names & identifiers
- Preferred name
- N-(Aminocarbonyl)-3-oxobutyramide
- IUPAC
- N-carbamoyl-3-oxobutanamide
- English name
- N-(aminocarbonyl)-3-oxobutyramide
- Molecular formula
- C5H8N2O3
- Molecular weight
- 144.13
Names & synonyms
N-(Aminocarbonyl)-3-oxobutyramide763-57-5n-carbamoyl-3-oxobutanamideEINECS 212-111-3acetoacetylurea67UFP8L8U6SCHEMBL3409286DTXSID40227173XSTSHBWKUKSVEP-UHFFFAOYSA-NAKOS006337847NS00037775N-(Aminocarbonyl)-3-oxobutanamide
Show more names
Butanamide, N-(aminocarbonyl)-3-oxo-
Database identifiers
- CAS
763-57-5- PubChem CID
- 69812
- DTXSID
DTXSID40227173- UNII
- 67UFP8L8U6
- EC Number
- 212-111-3
- Nikkaji
- J193.128H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 146 · 146-147 °C
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 10.33 · 10.33±0.46(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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