1-(3,5-Difluorobenzyl)-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909659-02-5]

Identification

• Name: 1-(3,5-Difluorobenzyl)-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 1-(3,5-difluorobenzyl)-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₁₉H₁₈F₅N₃O
• Molecular Weight: 399.36
• CAS Registry Number: 909659-02-5
• SMILES: FC(F)(F)c1ccc(cn1)CN3CCN(Cc2cc(F)cc(F)c2)CCC3=O
• InChI: 1S/C19H18F5N3O/c20-15-7-14(8-16(21)9-15)11-26-4-3-18(28)27(6-5-26)12-13-1-2-17(25-10-13)19(22,23)24/h1-2,7-10H,3-6,11-12H2
• InChIKey: BLHRVPFTBJAACY-UHFFFAOYSA-N

Properties

• Density: 1.356g/cm³ (Cal.)
• Boiling point: 478.204°C at 760 mmHg (Cal.)
• Flash point: 243.009°C (Cal.)
• Refractive index: 1.535 (Cal.)