Basic information
- CAS
21367-95-3- Standard SMILES
O=C1NC(=O)N(c2ccccc2)C(=O)C1CCCCO- InChIKey
VIIWBPFNMLPGGW-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-
- IUPAC
- 5-(4-hydroxybutyl)-1-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(4-Hydroxybutyl)-1-phenylbarbituric acid
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
21367-95-3Barbituric acid, 5-(4-hydroxybutyl)-1-phenyl-RefChem:10775955-(4-Hydroxybutyl)-1-phenylbarbituric acidBRN 0676536DTXSID609439246-Hydroxy-5-(4-hydroxybutyl)-3-phenylpyrimidine-2,4(3H,5H)-dione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(4-hydroxybutyl)-1-phenyl-
Database identifiers
- CAS
21367-95-3- PubChem CID
- 210593
- DTXSID
DTXSID60943924- Nikkaji
- J62.458F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 5.09 · 5.09±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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