4-[(4,6-Dimethyl-2-Pyrimidinyl)(Methyl)Amino]Benzoic Acid
[CAS# 387350-50-7]

Identification

• Name: 4-[(4,6-Dimethyl-2-Pyrimidinyl)(Methyl)Amino]Benzoic Acid
• Synonyms: 3-Amino-1-methyl-5H-pyrido[4,3-b]indole acetate; 4-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)benzoic acid; 4-[(4,6-Dimethyl-1,3-diazin-2-yl)(methyl)amino]benzoic acid, 2-[(4-Carboxyphenyl)(methyl)amino]-4,6-dimethylpyrimidine
• Molecular Formula: C₁₄H₁₅N₃O₂
• Molecular Weight: 257.29
• CAS Registry Number: 387350-50-7
• SMILES: O=C(O)c2ccc(N(c1nc(cc(n1)C)C)C)cc2
• InChI: 1S/C14H15N3O2/c1-9-8-10(2)16-14(15-9)17(3)12-6-4-11(5-7-12)13(18)19/h4-8H,1-3H3,(H,18,19)
• InChIKey: CWDJNWNZJJKIBB-UHFFFAOYSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Melting point: 172-174°C (Expl.)
• Boiling point: 477.388°C at 760 mmHg (Cal.)
• Flash point: 242.516°C (Cal.)
• Refractive index: 1.63 (Cal.)

Safety Data

• Safety Description: Irritant