4-[(5-Allyl-6-Methyl-2-Phenyl-4-Pyrimidinyl)Amino]Benzoic Acid
[CAS# 300837-31-4]

Identification

• Name: 4-[(5-Allyl-6-Methyl-2-Phenyl-4-Pyrimidinyl)Amino]Benzoic Acid
• Synonyms: 4-((5-Allyl-6-methyl-2-phenylpyrimidin-4-yl)amino)benzoic acid; 4-(5-allyl-6-methyl-2-phenyl-4-pyrimidinyl)aminobenzoic acid; 4-[(5-allyl-6-methyl-2-phenyl-4-pyrimidinyl)amino]benzoic acid
• Molecular Formula: C₂₁H₁₉N₃O₂
• Molecular Weight: 345.39
• CAS Registry Number: 300837-31-4
• SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)O)CC=C
• InChI: 1S/C21H19N3O2/c1-3-7-18-14(2)22-19(15-8-5-4-6-9-15)24-20(18)23-17-12-10-16(11-13-17)21(25)26/h3-6,8-13H,1,7H2,2H3,(H,25,26)(H,22,23,24)
• InChIKey: SQYRBODOBCAROZ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 461.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 232.6±28.7°C (Cal.)
• Refractive index: 1.648 (Cal.)