1-[2-(6H-Benzo[c][1,5]benzodioxepin-6-yl)ethyl]-4-methyl-piperazine with but-2-enedioic acid
[CAS# 81320-31-2]

Identification

• Name: 1-[2-(6H-Benzo[c][1,5]benzodioxepin-6-yl)ethyl]-4-methyl-piperazine with but-2-enedioic acid
• Synonyms: 1-[2-(6H-Benzo[C][1,5]Benzodioxepin-6-Yl)Ethyl]-4-Methyl-Piperazine; But-2-Enedioic Acid; 4-Methyl 2-(Dibenzo(B,E) 1,4-Dioxepin-11-Yl)Ethyl 1-Piperazine Difumarate [French]; Piperazine, 1-(2-(11H-Dibenzo(B,E)(1,4)Dioxepin-11-Yl)Ethyl)-4-Methyl-, (+-)-, (E)-2-Butenedioate (1:2)
• Molecular Formula: C₂₈H₃₂N₂O₁₀
• Molecular Weight: 556.57
• CAS Registry Number: 81320-31-2
• SMILES: C1=C3C(=CC=C1)OC2=CC=CC=C2OC3CCN4CCN(CC4)C.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C20H24N2O2.2C4H4O4/c1-21-12-14-22(15-13-21)11-10-18-16-6-2-3-7-17(16)23-19-8-4-5-9-20(19)24-18;2*5-3(6)1-2-4(7)8/h2-9,18H,10-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: FXDMSNMLFJHPPJ-LVEZLNDCSA-N

Properties

• Boiling point: 444.5°C at 760 mmHg (Cal.)
• Flash point: 127.8°C (Cal.)