2-[(2-Amino-4-Pyrimidinyl)Amino]Benzoic Acid
[CAS# 31185-78-1]

Identification

• Name: 2-[(2-Amino-4-Pyrimidinyl)Amino]Benzoic Acid
• Synonyms: 2-(2-Aminopyrimidin-4-ylamino)benzoic acid; 2-[(2-amino-4-pyrimidinyl)amino]benzoic acid; 5-25-12-00025 (Beilstein Handbook Reference)
• Molecular Formula: C₁₁H₁₀N₄O₂
• Molecular Weight: 230.22
• CAS Registry Number: 31185-78-1
• SMILES: O=C(O)c2c(Nc1nc(ncc1)N)cccc2
• InChI: 1S/C11H10N4O2/c12-11-13-6-5-9(15-11)14-8-4-2-1-3-7(8)10(16)17/h1-6H,(H,16,17)(H3,12,13,14,15)
• InChIKey: SOJJTFYDOCVXLS-UHFFFAOYSA-N

Properties

• Density: 1.469g/cm³ (Cal.)
• Boiling point: 530.169°C at 760 mmHg (Cal.)
• Flash point: 274.436°C (Cal.)