1-(Methylsulfonyl)-4-(1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-4-piperidinyl)-1,4-diazepane
[CAS# 909670-87-7]

Identification

• Name: 1-(Methylsulfonyl)-4-(1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-4-piperidinyl)-1,4-diazepane
• Synonyms: 1-(methylsulfonyl)-4-(1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}piperidin-4-yl)-1,4-diazepane
• Molecular Formula: C₁₈H₂₇F₃N₄O₂S
• Molecular Weight: 420.49
• CAS Registry Number: 909670-87-7
• SMILES: FC(F)(F)c1ccc(cn1)CN2CCC(CC2)N3CCCN(CC3)S(C)(=O)=O
• InChI: 1S/C18H27F3N4O2S/c1-28(26,27)25-8-2-7-24(11-12-25)16-5-9-23(10-6-16)14-15-3-4-17(22-13-15)18(19,20)21/h3-4,13,16H,2,5-12,14H2,1H3
• InChIKey: QLZXIXHLXIDSGR-UHFFFAOYSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 492°C at 760 mmHg (Cal.)
• Flash point: 251.353°C (Cal.)
• Refractive index: 1.563 (Cal.)