5-Ethyl-1,3-Dimethyl-5-(3-Methylbutyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione
[CAS# 28239-46-5]

Identification

• Name: 5-Ethyl-1,3-Dimethyl-5-(3-Methylbutyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione
• Synonyms: 5-Ethyl-5-Isopentyl-1,3-Dimethyl-Hexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Isopentyl-1,3-Dimethylhexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Isoamyl-1,3-Dimethyl-Barbituric Acid
• Molecular Formula: C₁₃H₂₂N₂O₃
• Molecular Weight: 254.33
• CAS Registry Number: 28239-46-5
• SMILES: C(C1(C(N(C(=O)N(C)C1=O)C)=O)CCC(C)C)C
• InChI: 1S/C13H22N2O3/c1-6-13(8-7-9(2)3)10(16)14(4)12(18)15(5)11(13)17/h9H,6-8H2,1-5H3
• InChIKey: SETFOBQXPZJCGE-UHFFFAOYSA-N

Properties

• Density: 1.053g/cm³ (Cal.)
• Boiling point: 321.128°C at 760 mmHg (Cal.)
• Flash point: 118.256°C (Cal.)