4-(2,4,6-Trifluorobenzyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909668-89-9]

Identification

• Name: 4-(2,4,6-Trifluorobenzyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 4-(2,4,6-trifluorobenzyl)-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₁₉H₁₇F₆N₃O
• Molecular Weight: 417.35
• CAS Registry Number: 909668-89-9
• SMILES: FC(F)(F)c3ccc(CN1CCC(=O)N(CC1)Cc2c(F)cc(F)cc2F)cn3
• InChI: 1S/C19H17F6N3O/c20-13-7-15(21)14(16(22)8-13)11-28-6-5-27(4-3-18(28)29)10-12-1-2-17(26-9-12)19(23,24)25/h1-2,7-9H,3-6,10-11H2
• InChIKey: ZIZQHCYERCCEJL-UHFFFAOYSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 476.602°C at 760 mmHg (Cal.)
• Flash point: 242.04°C (Cal.)
• Refractive index: 1.525 (Cal.)