3-Isobutyl-5-Phenyl-2(1H)-Pyrazinone
[CAS# 128972-00-9]

Identification

• Name: 3-Isobutyl-5-Phenyl-2(1H)-Pyrazinone
• Synonyms: 3-(2-METHYLPROPYL)-5-PHENYL-2(1H)-PYRAZINONE
• Molecular Formula: C₁₄H₁₆N₂O
• Molecular Weight: 228.29
• CAS Registry Number: 128972-00-9
• SMILES: O=C/1N/C=C(\N=C\1CC(C)C)c2ccccc2
• InChI: 1S/C14H16N2O/c1-10(2)8-12-14(17)15-9-13(16-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17)
• InChIKey: LRVOHCKCVYNCHO-UHFFFAOYSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 444.7°C at 760 mmHg (Cal.)
• Flash point: 222.7°C (Cal.)
• Refractive index: 1.58 (Cal.)