1,3-Dimethyl-5-Isopentyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
[CAS# 66941-04-6]

Identification

• Name: 1,3-Dimethyl-5-Isopentyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
• Synonyms: 5-Isopentyl-1,3-Dimethyl-Hexahydropyrimidine-2,4,6-Trione; 5-Isopentyl-1,3-Dimethylhexahydropyrimidine-2,4,6-Trione; 5-Isoamyl-1,3-Dimethyl-Barbituric Acid
• Molecular Formula: C₁₁H₁₈N₂O₃
• Molecular Weight: 226.27
• CAS Registry Number: 66941-04-6
• SMILES: C(C1C(N(C(N(C1=O)C)=O)C)=O)CC(C)C
• InChI: 1S/C11H18N2O3/c1-7(2)5-6-8-9(14)12(3)11(16)13(4)10(8)15/h7-8H,5-6H2,1-4H3
• InChIKey: UXTWCUZROXOWIR-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 299.121°C at 760 mmHg (Cal.)
• Flash point: 114.803°C (Cal.)