1-(6,11-Dihydro-11-Phenyldibenzo[b,e]Thiepin-3-Yl)-4-Methyl-Piperazine (Z)-2-Butenedioate (1:1) Hydrate
[CAS# 84964-50-1]

Identification

• Name: 1-(6,11-Dihydro-11-Phenyldibenzo[b,e]Thiepin-3-Yl)-4-Methyl-Piperazine (Z)-2-Butenedioate (1:1) Hydrate
• Synonyms: 3-(4-Methylpiperazino)-11-Phenyl-6,11-Dihydrodibenzo(B,E)Thiepin Maleate Hydrate; Piperazine, 1-(6,11-Dihydro-11-Phenyldibenzo(B,E)Thiepin-3-Yl)-4-Methyl-, (Z)-2-Butenedioate (1:1), Hydrate
• Molecular Formula: C₂₉H₃₀N₂O₄S
• Molecular Weight: 502.63
• CAS Registry Number: 84964-50-1
• SMILES: C3=C2C(C1=CC=CC=C1CSC2=CC(=C3)N4CCN(CC4)C)C5=CC=CC=C5.O=C(O)\C=C\C(=O)O
• InChI: 1S/C25H26N2S.C4H4O4/c1-26-13-15-27(16-14-26)21-11-12-23-24(17-21)28-18-20-9-5-6-10-22(20)25(23)19-7-3-2-4-8-19;5-3(6)1-2-4(7)8/h2-12,17,25H,13-16,18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: KHOVIDFLDPENDN-WLHGVMLRSA-N

Properties

• Boiling point: 532.2°C at 760 mmHg (Cal.)
• Flash point: 275.7°C (Cal.)