Diethylphenobarbital
Basic information
- CAS
38024-60-1- Standard SMILES
CCN1C(=O)N(CC)C(=O)C(CC)(c2ccccc2)C1=O- InChIKey
UGVJFCFVDRFHFP-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- Diethylphenobarbital
- IUPAC
- 1,3,5-triethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 1,3,5-Triethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C16H20N2O3
- Molecular weight
- 288.34
Names & synonyms
Diethylphenobarbital1,3-DiethylphenobarbitalN,N'-Diethylphenobarbital38024-60-12,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1,3,5-triethyl-BRN 02976221,3-Diethyl-5-ethyl-5-phenylbarbituric acid1,3,5-triethyl-5-phenyl-1,3-diazinane-2,4,6-trione5-Phenyl-1,3,5-triethyl-2,4,6(1H,3H,5H)-pyrimidinetrione1,4-DiethylphenobarbitalPhenobarbital, 1,3-diethylDTXSID50191432
Show more names
1,3,5-Triethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
UGVJFCFVDRFHFP-UHFFFAOYSA-N2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-triethyl-5-phenyl-1,3-Diethyl derivative of Phenobarbitol1,3,5-Triethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
Database identifiers
- CAS
38024-60-1- PubChem CID
- 217018
- DTXSID
DTXSID50191432- Nikkaji
- J108.214K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Melting point
- 129 °C · 129 °C
- Boiling point
- 394.871 · 394.871±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.523 · -2.523±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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