4-Benzyl-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909659-37-6]

Identification

• Name: 4-Benzyl-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 4-benzyl-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one; 4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID
• Molecular Formula: C₁₉H₂₀F₃N₃O
• Molecular Weight: 363.38
• CAS Registry Number: 909659-37-6
• SMILES: FC(F)(F)c3ccc(CN1CCC(=O)N(CC1)Cc2ccccc2)cn3
• InChI: 1S/C19H20F3N3O/c20-19(21,22)17-7-6-16(12-23-17)13-24-9-8-18(26)25(11-10-24)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
• InChIKey: ARSHESJQCZFFML-UHFFFAOYSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 486.424°C at 760 mmHg (Cal.)
• Flash point: 247.981°C (Cal.)
• Refractive index: 1.554 (Cal.)