4-(2-Pyridinylmethyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909659-43-4]

Identification

• Name: 4-(2-Pyridinylmethyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 4-(pyridin-2-ylmethyl)-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₁₈H₁₉F₃N₄O
• Molecular Weight: 364.36
• CAS Registry Number: 909659-43-4
• SMILES: FC(F)(F)c3ccc(CN1CCC(=O)N(CC1)Cc2ccccn2)cn3
• InChI: 1S/C18H19F3N4O/c19-18(20,21)16-5-4-14(11-23-16)12-24-8-6-17(26)25(10-9-24)13-15-3-1-2-7-22-15/h1-5,7,11H,6,8-10,12-13H2
• InChIKey: WBDZZOWVZOVMPH-UHFFFAOYSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 494.689°C at 760 mmHg (Cal.)
• Flash point: 252.979°C (Cal.)
• Refractive index: 1.556 (Cal.)