1-Cyclohexyl-5-Methyl-3-Phenyl-1,3-Diazinane-2,4,6-Trione
[CAS# 1038-85-3]

Identification

• Name: 1-Cyclohexyl-5-Methyl-3-Phenyl-1,3-Diazinane-2,4,6-Trione
• Synonyms: 1-Cyclohexyl-5-Methyl-3-Phenyl-Hexahydropyrimidine-2,4,6-Trione; 1-Cyclohexyl-5-Methyl-3-Phenylhexahydropyrimidine-2,4,6-Trione; 1-Cyclohexyl-5-Methyl-3-Phenyl-Barbituric Acid
• Molecular Formula: C₁₇H₂₀N₂O₃
• Molecular Weight: 300.36
• CAS Registry Number: 1038-85-3
• SMILES: C1=CC=CC=C1N3C(N(C2CCCCC2)C(C(C3=O)C)=O)=O
• InChI: 1S/C17H20N2O3/c1-12-15(20)18(13-8-4-2-5-9-13)17(22)19(16(12)21)14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3
• InChIKey: IFXAQRYOAKJCMN-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 422.206°C at 760 mmHg (Cal.)
• Flash point: 178.104°C (Cal.)