1-[2-(4-Chlorophenoxy)ethyl]-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909659-29-6]

Identification

• Name: 1-[2-(4-Chlorophenoxy)ethyl]-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 1-[2-(4-chlorophenoxy)ethyl]-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₂₀H₂₁ClF₃N₃O₂
• Molecular Weight: 427.85
• CAS Registry Number: 909659-29-6
• SMILES: FC(F)(F)c1ccc(cn1)CN3CCN(CCOc2ccc(Cl)cc2)CCC3=O
• InChI: 1S/C20H21ClF3N3O2/c21-16-2-4-17(5-3-16)29-12-11-26-8-7-19(28)27(10-9-26)14-15-1-6-18(25-13-15)20(22,23)24/h1-6,13H,7-12,14H2
• InChIKey: CAFDZUJKPBOQIG-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 562.153°C at 760 mmHg (Cal.)
• Flash point: 293.78°C (Cal.)
• Refractive index: 1.545 (Cal.)