4-[(6-Chloro-3-pyridinyl)methyl]-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909668-86-6]

Identification

• Name: 4-[(6-Chloro-3-pyridinyl)methyl]-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 4-[(6-chloropyridin-3-yl)methyl]-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₁₈H₁₈ClF₃N₄O
• Molecular Weight: 398.81
• CAS Registry Number: 909668-86-6
• SMILES: FC(F)(F)c3ccc(CN1CCC(=O)N(CC1)Cc2ccc(Cl)nc2)cn3
• InChI: 1S/C18H18ClF3N4O/c19-16-4-2-14(10-24-16)12-26-8-7-25(6-5-17(26)27)11-13-1-3-15(23-9-13)18(20,21)22/h1-4,9-10H,5-8,11-12H2
• InChIKey: WPHLFEGJNULIKM-UHFFFAOYSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 532.833°C at 760 mmHg (Cal.)
• Flash point: 276.047°C (Cal.)
• Refractive index: 1.563 (Cal.)