5-Butyl-1-Cyclohexyl-3-Phenylbarbituric Acid
[CAS# 1048-69-7]

Identification

• Name: 5-Butyl-1-Cyclohexyl-3-Phenylbarbituric Acid
• Synonyms: 5-Butyl-1-Cyclohexyl-3-Phenyl-Hexahydropyrimidine-2,4,6-Trione; 5-Butyl-1-Cyclohexyl-3-Phenylhexahydropyrimidine-2,4,6-Trione; 5-Butyl-1-Cyclohexyl-3-Phenyl-Barbituric Acid
• Molecular Formula: C₂₀H₂₆N₂O₃
• Molecular Weight: 342.44
• CAS Registry Number: 1048-69-7
• SMILES: C1=CC=CC=C1N3C(N(C2CCCCC2)C(C(C3=O)CCCC)=O)=O
• InChI: 1S/C20H26N2O3/c1-2-3-14-17-18(23)21(15-10-6-4-7-11-15)20(25)22(19(17)24)16-12-8-5-9-13-16/h4,6-7,10-11,16-17H,2-3,5,8-9,12-14H2,1H3
• InChIKey: DWBNPGMYLAYNNJ-UHFFFAOYSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 459.667°C at 760 mmHg (Cal.)
• Flash point: 186.31°C (Cal.)