2-[(6-Oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid
[CAS 90666-72-1]

Identification

• Name: 2-[(6-Oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid
• Synonyms: 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoic acid; 2-(10-Oxo-10H-1,4a,9-triaza-anthracen-2-ylamino)-benzoic acid; 2-[(6-oxo-5-hydropyrimidino[2,1-b]quinazolin-2-yl)amino]benzoic acid
• Molecular Formula: C₁₈H₁₂N₄O₃
• Molecular Weight: 332.31
• CAS Registry Number: 90666-72-1
• SMILES: c1ccc2c(c1)c(=O)n3ccc(nc3n2)Nc4ccccc4C(=O)O
• InChI: 1S/C18H12N4O3/c23-16-11-5-1-3-7-13(11)20-18-21-15(9-10-22(16)18)19-14-8-4-2-6-12(14)17(24)25/h1-10H,(H,24,25)(H,19,20,21)
• InChIKey: HOSTXHKWYSIHAN-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 570.4±52.0°C at 760 mmHg (Cal.)
• Flash point: 298.7±30.7°C (Cal.)