1-Cyclohexyl-3-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
1045-96-1- Standard SMILES
CCCC1C(=O)N(c2ccccc2)C(=O)N(C2CCCCC2)C1=O- InChIKey
BUTYVUKCJWGMOG-UHFFFAOYSA-N- Molecular formula
- C19H24N2O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.17869263
Names & identifiers
- Preferred name
- 1-Cyclohexyl-3-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 1-cyclohexyl-3-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-3-phenyl-5-propylbarbituric acid
- Molecular formula
- C19H24N2O3
- Molecular weight
- 328.41
Names & synonyms
1045-96-11-cyclohexyl-3-phenyl-5-propyl-1,3-diazinane-2,4,6-trioneDTXSID10909010RefChem:1055302DTXCID3013380811-Cyclohexyl-3-phenyl-5-propylbarbituric acidBRN 0897590BARBITURIC ACID, 1-CYCLOHEXYL-3-PHENYL-5-PROPYL-1-Cyclohexyl-3-phenyl-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-3-phenyl-5-propyl-
Database identifiers
- CAS
1045-96-1- PubChem CID
- 13973
- DTXSID
DTXSID10909010- Nikkaji
- J54.745J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Melting point
- 115.5 °C · 115.5 °C
- Boiling point
- 447.3 · 447.3±28.0 °C(Predicted)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- pka
- 6.32 · 6.32±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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