1-(2-Phenoxyethyl)-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909690-83-1]

Identification

• Name: 1-(2-Phenoxyethyl)-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 1-(2-phenoxyethyl)-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₂₀H₂₂F₃N₃O₂
• Molecular Weight: 393.40
• CAS Registry Number: 909690-83-1
• SMILES: FC(F)(F)c1ccc(cn1)CN3CCN(CCOc2ccccc2)CCC3=O
• InChI: 1S/C20H22F3N3O2/c21-20(22,23)18-7-6-16(14-24-18)15-26-11-10-25(9-8-19(26)27)12-13-28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2
• InChIKey: GXGVUOUHGNPMPU-UHFFFAOYSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 538.137°C at 760 mmHg (Cal.)
• Flash point: 279.255°C (Cal.)
• Refractive index: 1.537 (Cal.)