(E)-N-[4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-(3,4-dimethoxyphenyl)methanimine
[CAS# 86758-93-2]

Identification

• Name: (E)-N-[4-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-(3,4-dimethoxyphenyl)methanimine
• Synonyms: 1-Piperazinamine, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3,4-dimethoxyphenyl)methylene)-; 2-Chloro-10-(4-(3,4-dimethoxybenzylideneamino)piperazino)-10,11-dihydrodibenzo(b,f)thiepin; BRN 4609330
• Molecular Formula: C₂₇H₂₈ClN₃O₂S
• Molecular Weight: 494.05
• CAS Registry Number: 86758-93-2
• SMILES: Clc5ccc4Sc1c(cccc1)C(N3CCN(/N=C/c2ccc(OC)c(OC)c2)CC3)Cc4c5
• InChI: 1S/C27H28ClN3O2S/c1-32-24-9-7-19(15-25(24)33-2)18-29-31-13-11-30(12-14-31)23-17-20-16-21(28)8-10-26(20)34-27-6-4-3-5-22(23)27/h3-10,15-16,18,23H,11-14,17H2,1-2H3/b29-18+
• InChIKey: KUMGSEGYOUFGRN-RDRPBHBLSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 623.704°C at 760 mmHg (Cal.)
• Flash point: 331.004°C (Cal.)