1-Cyclohexyl-5-Pentyl-3-Phenyl-1,3-Diazinane-2,4,6-Trione
[CAS# 1051-12-3]

Identification

• Name: 1-Cyclohexyl-5-Pentyl-3-Phenyl-1,3-Diazinane-2,4,6-Trione
• Synonyms: 1-Cyclohexyl-5-Pentyl-3-Phenyl-Hexahydropyrimidine-2,4,6-Trione; 1-Cyclohexyl-5-Pentyl-3-Phenylhexahydropyrimidine-2,4,6-Trione; 5-Amyl-1-Cyclohexyl-3-Phenyl-Barbituric Acid
• Molecular Formula: C₂₁H₂₈N₂O₃
• Molecular Weight: 356.46
• CAS Registry Number: 1051-12-3
• SMILES: C1=CC=CC=C1N3C(N(C2CCCCC2)C(C(C3=O)CCCCC)=O)=O
• InChI: 1S/C21H28N2O3/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h4,7-8,11-12,17-18H,2-3,5-6,9-10,13-15H2,1H3
• InChIKey: LNEBZBLNLNQKSU-UHFFFAOYSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 471.879°C at 760 mmHg (Cal.)
• Flash point: 188.857°C (Cal.)