5-(2-Hydroxybutyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
66941-78-4- Standard SMILES
C=CCC1(CC(O)CC)C(=O)NC(=O)NC1=O- InChIKey
UFJFENQSZYKNSF-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.111007
Names & identifiers
- Preferred name
- 5-(2-Hydroxybutyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-(2-hydroxybutyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-5-(2-methylbutyl)barbituric acid
- Molecular formula
- C12H18N2O3
- Molecular weight
- 238.28
Names & synonyms
5-(2-hydroxybutyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione66941-78-4DTXSID302755275-(2-Hydroxybutyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-Allyl-5-(2-methylbutyl)barbituric acid5-Allyl-5-(2-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylbutyl)-5-(2-propen-1-yl)-
Database identifiers
- CAS
66941-78-4- PubChem CID
- 48556
- DTXSID
DTXSID30275527
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 97 · 97-99 °C
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 7.8 · 7.80±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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