2-{3-[(E)-{[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]imino}methyl]phenoxy}-N,N-dimethylethanamine hydrochloride (1:1)
[CAS# 86759-08-2]

Identification

• Name: 2-{3-[(E)-{[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]imino}methyl]phenoxy}-N,N-dimethylethanamine hydrochloride (1:1)
• Molecular Formula: C₂₉H₃₄Cl₂N₄OS
• Molecular Weight: 557.58
• CAS Registry Number: 86759-08-2
• SMILES: Cl.Clc5cc2c(Sc1ccccc1CC2N4CCN(/N=C/c3cccc(OCCN(C)C)c3)CC4)cc5
• InChI: 1S/C29H33ClN4OS.ClH/c1-32(2)16-17-35-25-8-5-6-22(18-25)21-31-34-14-12-33(13-15-34)27-19-23-7-3-4-9-28(23)36-29-11-10-24(30)20-26(27)29;/h3-11,18,20-21,27H,12-17,19H2,1-2H3;1H/b31-21+
• InChIKey: CSGXATIQJHZXAN-GEQVRVAYSA-N

Properties

• Boiling point: 643.4°C at 760 mmHg (Cal.)
• Flash point: 342.9°C (Cal.)