4-(2-Biphenylylmethyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909659-40-1]

Identification

• Name: 4-(2-Biphenylylmethyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 4-(biphenyl-2-ylmethyl)-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₂₅H₂₄F₃N₃O
• Molecular Weight: 439.47
• CAS Registry Number: 909659-40-1
• SMILES: FC(F)(F)c4ccc(CN1CCC(=O)N(CC1)Cc3ccccc3c2ccccc2)cn4
• InChI: 1S/C25H24F3N3O/c26-25(27,28)23-11-10-19(16-29-23)17-30-13-12-24(32)31(15-14-30)18-21-8-4-5-9-22(21)20-6-2-1-3-7-20/h1-11,16H,12-15,17-18H2
• InChIKey: BPXAGCWLEHVMTI-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 587.885°C at 760 mmHg (Cal.)
• Flash point: 309.342°C (Cal.)
• Refractive index: 1.576 (Cal.)