3-[(1-Methyl-1H-Pyrazolo[3,4-d]Pyrimidin-4-Yl)Amino]Benzoic Acid
[CAS# 361986-58-5]

Identification

• Name: 3-[(1-Methyl-1H-Pyrazolo[3,4-d]Pyrimidin-4-Yl)Amino]Benzoic Acid
• Synonyms: 3-(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid; 3-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
• Molecular Formula: C₁₃H₁₁N₅O₂
• Molecular Weight: 269.26
• CAS Registry Number: 361986-58-5
• SMILES: CN1C2=NC=NC(=C2C=N1)NC3=CC=CC(=C3)C(=O)O
• InChI: 1S/C13H11N5O2/c1-18-12-10(6-16-18)11(14-7-15-12)17-9-4-2-3-8(5-9)13(19)20/h2-7H,1H3,(H,19,20)(H,14,15,17)
• InChIKey: OCHDRKQTIRJRGE-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 538.8±40.0°C at 760 mmHg (Cal.)
• Flash point: 279.6±27.3°C (Cal.)
• Refractive index: 1.74 (Cal.)