5-Allyl-1,3-Dimethyl-5-(2-Pentanyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione
[CAS# 28239-49-8]

Identification

• Name: 5-Allyl-1,3-Dimethyl-5-(2-Pentanyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione
• Synonyms: 1,3-Dimethylsecobarbital; 5-Allyl-1,3-dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; N,N-Dimethylquinalbarbitone
• Molecular Formula: C₁₄H₂₂N₂O₃
• Molecular Weight: 266.34
• CAS Registry Number: 28239-49-8
• SMILES: O=C1N(C(=O)C(C(=O)N1C)(C\C=C)C(C)CCC)C
• InChI: 1S/C14H22N2O3/c1-6-8-10(3)14(9-7-2)11(17)15(4)13(19)16(5)12(14)18/h7,10H,2,6,8-9H2,1,3-5H3
• InChIKey: KKPCLTFASPTTIQ-UHFFFAOYSA-N

Properties

• Density: 1.062g/cm³ (Cal.)
• Boiling point: 333.704°C at 760 mmHg (Cal.)
• Flash point: 122.808°C (Cal.)
• Refractive index: 1.487 (Cal.)