3-methyl-2-(4-oxoquinazolin-3-yl)butanoic acid
[CAS# 880810-89-9]

Identification

• Name: 3-methyl-2-(4-oxoquinazolin-3-yl)butanoic acid
• Synonyms: 3-methyl-2-(4-oxo(3-hydroquinazolin-3-yl))butanoic acid; 3-methyl-2-(4-oxo-3(4H)-quinazolinyl)butanoic acid; 3-Methyl-2-(4-oxo-4H-quinazolin-3-yl)-butyric acid
• Molecular Formula: C₁₃H₁₄N₂O₃
• Molecular Weight: 246.26
• CAS Registry Number: 880810-89-9
• SMILES: CC(C)C(C(=O)O)n1cnc2ccccc2c1=O
• InChI: 1S/C13H14N2O3/c1-8(2)11(13(17)18)15-7-14-10-6-4-3-5-9(10)12(15)16/h3-8,11H,1-2H3,(H,17,18)
• InChIKey: LZSQSGNCXDYHMC-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 442.5±47.0°C at 760 mmHg (Cal.)
• Flash point: 221.4±29.3°C (Cal.)
• Refractive index: 1.616 (Cal.)