Basic information
- CAS
17148-41-3- Standard SMILES
O=C1NC(=O)N(C2CCCCC2)C(=O)C1CCCCO- InChIKey
NUDMKHGPEOQYDI-UHFFFAOYSA-N- Molecular formula
- C14H22N2O4
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.15795719
Names & identifiers
- Preferred name
- Barbituric acid, 1-cyclohexyl-5-(4-hydroxybutyl)-
- IUPAC
- 1-cyclohexyl-5-(4-hydroxybutyl)-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-5-(4-hydroxybutyl)barbituric acid
- Molecular formula
- C14H22N2O4
- Molecular weight
- 282.34
Names & synonyms
17148-41-3BARBITURIC ACID, 1-CYCLOHEXYL-5-(4-HYDROXYBUTYL)-RefChem:10775051-Cyclohexyl-5-(4-hydroxybutyl)barbituric acidBRN 07576421-cyclohexyl-5-(4-hydroxybutyl)-1,3-diazinane-2,4,6-trione1-Cyclohexyl-5-(4-hydroxybutyl)perhydropyrimidine-2,4,6-trioneDTXSID309379913-Cyclohexyl-6-hydroxy-5-(4-hydroxybutyl)pyrimidine-2,4(3H,5H)-dione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-(4-hydroxybutyl)-
Database identifiers
- CAS
17148-41-3- PubChem CID
- 28338
- DTXSID
DTXSID30937991- Nikkaji
- J62.436E
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- Melting point
- 121 °C · 121 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 5.52 · 5.52±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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