Basic information
- CAS
5426-52-8- Standard SMILES
CCC(=O)NC(N)=O- InChIKey
KKACJTWOOFIGAD-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2
- Average molar mass
- 116.12 g/mol
- Monoisotopic mass
- 116.0585775
Names & identifiers
- Preferred name
- Propanamide, N-(aminocarbonyl)-
- IUPAC
- N-carbamoylpropanamide
- English name
- propionylurea
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12
Names & synonyms
PropionylureaPropanamide, N-(aminocarbonyl)-Urea, propionyl-N-(Aminocarbonyl)propanamideEINECS 226-571-8BRN 1753748DTXSID702026153-03-00-00121 (Beilstein Handbook Reference)NSC 14270RefChem:176270DTXCID00125106226-571-8
Show more names
N-(Aminocarbonyl)propionamide
KKACJTWOOFIGAD-UHFFFAOYSA-N5426-52-8n-carbamoylpropanamideNSC-14270N-Carbamoylpropionamiden-Propionylurea #NSC14270Methylacetylharnstoff
Database identifiers
- CAS
5426-52-8- PubChem CID
- 79474
- DTXSID
DTXSID70202615- UNII
- 63RUQ95KWE
- EC Number
- 226-571-8
- Nikkaji
- J132.973A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 210 · 210-211 °C
- Boiling point
- 217.15 °C · 217.15°C (rough estimate)
- Density
- 1.2829 · 1.2829 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- pka
- 13.05 · 13.05±0.70(Predicted)
- FDA UNII
- 63 RUQ95KWE · 63RUQ95KWE
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
安阳鸿蒙新材料有限公司19588588067 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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