alpha-(1-Methylethyl)-4-Oxo-2-(3,4,5-Trimethoxyphenyl)-3(4H)-Quinazolineacetic Acid
[CAS# 83408-91-7]

Identification

• Name: alpha-(1-Methylethyl)-4-Oxo-2-(3,4,5-Trimethoxyphenyl)-3(4H)-Quinazolineacetic Acid
• Synonyms: 3-Methyl-2-[4-Oxo-2-(3,4,5-Trimethoxyphenyl)-3-Quinazolinyl]Butanoic Acid; 2-[4-Keto-2-(3,4,5-Trimethoxyphenyl)Quinazolin-3-Yl]-3-Methyl-Butyric Acid; 3(4H)-Quinazolineacetic Acid, Alpha-(1-Methylethyl)-4-Oxo-2-(3,4,5-Trimethoxyphenyl)-
• Molecular Formula: C₂₂H₂₄N₂O₆
• Molecular Weight: 412.44
• CAS Registry Number: 83408-91-7
• SMILES: C1=CC=CC2=C1C(N(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)C(C(=O)O)C(C)C)=O
• InChI: 1S/C22H24N2O6/c1-12(2)18(22(26)27)24-20(23-15-9-7-6-8-14(15)21(24)25)13-10-16(28-3)19(30-5)17(11-13)29-4/h6-12,18H,1-5H3,(H,26,27)
• InChIKey: NADUPBAJEHIKOM-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 595.292°C at 760 mmHg (Cal.)
• Flash point: 313.821°C (Cal.)