1-(3-Pyridinylmethyl)-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909658-79-3]

Identification

• Name: 1-(3-Pyridinylmethyl)-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 1-(pyridin-3-ylmethyl)-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₁₈H₁₉F₃N₄O
• Molecular Weight: 364.36
• CAS Registry Number: 909658-79-3
• SMILES: FC(F)(F)c1ccc(cn1)CN3CCN(Cc2cccnc2)CCC3=O
• InChI: 1S/C18H19F3N4O/c19-18(20,21)16-4-3-15(11-23-16)13-25-9-8-24(7-5-17(25)26)12-14-2-1-6-22-10-14/h1-4,6,10-11H,5,7-9,12-13H2
• InChIKey: BOHSZWQXGAVXQN-UHFFFAOYSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 508.581°C at 760 mmHg (Cal.)
• Flash point: 261.38°C (Cal.)
• Refractive index: 1.556 (Cal.)