5-Isobutyl-1,3-Dimethylbarbituric Acid
[CAS# 7435-61-2]

Identification

• Name: 5-Isobutyl-1,3-Dimethylbarbituric Acid
• Synonyms: 5-Isobutyl-1,3-Dimethyl-Hexahydropyrimidine-2,4,6-Trione; 5-Isobutyl-1,3-Dimethylhexahydropyrimidine-2,4,6-Trione; 5-Isobutyl-1,3-Dimethyl-Barbituric Acid
• Molecular Formula: C₁₀H₁₆N₂O₃
• Molecular Weight: 212.25
• CAS Registry Number: 7435-61-2
• EINECS: 231-085-4
• SMILES: C(C1C(N(C(N(C1=O)C)=O)C)=O)C(C)C
• InChI: 1S/C10H16N2O3/c1-6(2)5-7-8(13)11(3)10(15)12(4)9(7)14/h6-7H,5H2,1-4H3
• InChIKey: NFQAQKVFBFWVKQ-UHFFFAOYSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 282.157°C at 760 mmHg (Cal.)
• Flash point: 109.024°C (Cal.)