2-Methyl-N¹-[4-(3-Pyridinyl)-2-Pyrimidinyl]-1,4-Benzenediamine
[CAS# 112696-91-0]

Identification

• Name: 2-Methyl-N¹-[4-(3-Pyridinyl)-2-Pyrimidinyl]-1,4-Benzenediamine
• Synonyms: 2-methyl-1-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,4-diamine; 2-Methyl-N1-(4-pyridin-3-yl-pyrimidin-2-yl)-benzene-1,4-diamine; Imatinib intermediates
• Molecular Formula: C₁₆H₁₅N₅
• Molecular Weight: 277.32
• CAS Registry Number: 112696-91-0
• SMILES: CC1=C(C=CC(=C1)N)NC2=NC=CC(=N2)C3=CN=CC=C3
• InChI: 1S/C16H15N5/c1-11-9-13(17)4-5-14(11)20-16-19-8-6-15(21-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21)
• InChIKey: KTGVVCLIFBRODR-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 538.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 279.6±32.9°C (Cal.)
• Refractive index: 1.688 (Cal.)