Barbituric acid, 5-butyl-5-ethyl-1-methyl-
Basic information
- CAS
4283-71-0- Standard SMILES
CCCCC1(CC)C(=O)NC(=O)N(C)C1=O- InChIKey
REJLZMLFNWVMTE-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-butyl-5-ethyl-1-methyl-
- IUPAC
- 5-butyl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Butyl-5-ethyl-1-methylbarbituric acid
- Molecular formula
- C11H18N2O3
- Molecular weight
- 226.27
Names & synonyms
4283-71-0BARBITURIC ACID, 5-BUTYL-5-ETHYL-1-METHYL-RefChem:10776385-Butyl-5-ethyl-1-methylbarbituric acidBRN 0087066DTXSID909627245-Butyl-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-ethyl-1-methyl-
Database identifiers
- CAS
4283-71-0- PubChem CID
- 20277
- DTXSID
DTXSID90962724- Nikkaji
- J54.728J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 75 °C · 75 °C
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- pka
- 8.27 · 8.27±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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