4-(2-Phenylethyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909659-35-4]

Identification

• Name: 4-(2-Phenylethyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 4-(2-phenylethyl)-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₂₀H₂₂F₃N₃O
• Molecular Weight: 377.40
• CAS Registry Number: 909659-35-4
• SMILES: FC(F)(F)c3ccc(CN1CCC(=O)N(CC1)CCc2ccccc2)cn3
• InChI: 1S/C20H22F3N3O/c21-20(22,23)18-7-6-17(14-24-18)15-25-10-9-19(27)26(13-12-25)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2
• InChIKey: SKWVCDMNLRXXJB-UHFFFAOYSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 494.407°C at 760 mmHg (Cal.)
• Flash point: 252.809°C (Cal.)
• Refractive index: 1.542 (Cal.)