N-(2-amino-2-oxoethyl)-3-oxobutyramide
Basic information
- CAS
19206-95-2- Standard SMILES
CC(=O)CC(=O)NCC(N)=O- InChIKey
RNRMBJKSBHBTFK-UHFFFAOYSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.06914219
Names & identifiers
- Preferred name
- N-(2-amino-2-oxoethyl)-3-oxobutyramide
- IUPAC
- N-(2-amino-2-oxoethyl)-3-oxobutanamide
- English name
- N-(2-amino-2-oxoethyl)-3-oxobutyramide
- Molecular formula
- C6H10N2O3
- Molecular weight
- 158.16
Names & synonyms
N-(2-Amino-2-oxoethyl)-3-oxobutyramiden-(2-amino-2-oxoethyl)-3-oxobutanamideEINECS 242-879-5MMN3UR222PDTXSID90172765Butanamide, N-(2-amino-2-oxoethyl)-3-oxo-RefChem:161634DTXCID5095256242-879-519206-95-2UNII-MMN3UR222PSCHEMBL7668119
Show more names
RNRMBJKSBHBTFK-UHFFFAOYSA-NNS00026266
Database identifiers
- CAS
19206-95-2- PubChem CID
- 87958
- DTXSID
DTXSID90172765- UNII
- MMN3UR222P
- EC Number
- 242-879-5
- Nikkaji
- J224.882D
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 160 · 160-161 °C
- Boiling point
- 471.6 · 471.6±30.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 11.48 · 11.48±0.46(Predicted)
- FDA UNII
- 3 UR222P · MMN3UR222P
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Compound notes
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