2-{4-[(E)-{[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]imino}methyl]-2-ethoxyphenoxy}-N,N-dimethylethanamine dihydrochloride
[CAS# 86759-10-6]

Identification

• Name: 2-{4-[(E)-{[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]imino}methyl]-2-ethoxyphenoxy}-N,N-dimethylethanamine dihydrochloride
• Synonyms: 1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((4-(2-(dimethylamino)ethoxy)-3-ethoxyphenyl)methylene)-, dihydrochloride, hydrate
• Molecular Formula: C₃₁H₃₉Cl₃N₄O₂S
• Molecular Weight: 638.09
• CAS Registry Number: 86759-10-6
• SMILES: Cl.Cl.Clc5cc2c(Sc1ccccc1CC2N4CCN(/N=C/c3ccc(OCCN(C)C)c(OCC)c3)CC4)cc5
• InChI: 1S/C31H37ClN4O2S.2ClH/c1-4-37-29-19-23(9-11-28(29)38-18-17-34(2)3)22-33-36-15-13-35(14-16-36)27-20-24-7-5-6-8-30(24)39-31-12-10-25(32)21-26(27)31;;/h5-12,19,21-22,27H,4,13-18,20H2,1-3H3;2*1H/b33-22+
• InChIKey: KXCDKHTVQRLEQW-NOOWTVGFSA-N

Properties

• Boiling point: 667.3°C at 760 mmHg (Cal.)
• Flash point: 357.4°C (Cal.)