2-{2-[(E)-{[4-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]imino}methyl]phenoxy}-N,N-dimethylethanamine trihydrochloride
[CAS# 86759-04-8]

Identification

• Name: 2-{2-[(E)-{[4-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]imino}methyl]phenoxy}-N,N-dimethylethanamine trihydrochloride
• Molecular Formula: C₂₉H₃₇Cl₃N₄OS
• Molecular Weight: 596.05
• CAS Registry Number: 86759-04-8
• SMILES: Cl.Cl.Cl.O(c1ccccc1/C=N/N5CCN(C3c4c(Sc2ccccc2C3)cccc4)CC5)CCN(C)C
• InChI: 1S/C29H34N4OS.3ClH/c1-31(2)19-20-34-27-12-6-3-10-24(27)22-30-33-17-15-32(16-18-33)26-21-23-9-4-7-13-28(23)35-29-14-8-5-11-25(26)29;;;/h3-14,22,26H,15-21H2,1-2H3;3*1H/b30-22+
• InChIKey: IOWAHSJJKMBURL-LKFYSFIFSA-N

Properties

• Boiling point: 626.3°C at 760 mmHg (Cal.)
• Flash point: 332.6°C (Cal.)