5-(4-Methylpiperazino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin maleate hydrate
[CAS# 37483-86-6]

Identification

• Name: 5-(4-Methylpiperazino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin maleate hydrate
• Synonyms: But-2-Enedioic Acid; 1-(8-Chloro-2,3,4,5-Tetrahydro-1-Benzoxepin-5-Yl)-4-Phenyl-Piperazine; 1-(8-Chloro-2,3,4,5-Tetrahydro-1-Benzoxepin-5-Yl)-4-Phenylpiperazine Maleate Hydrate; 5-(4-Methylpiperazino)-8-Chloro-2,3,4,5-Tetrahydro-1-Benzoxepin Maleate Hydrate
• Molecular Formula: C₂₄H₂₇ClN₂O₅
• Molecular Weight: 458.94
• CAS Registry Number: 37483-86-6
• SMILES: C4=C3C(N1CCN(CC1)C2=CC=CC=C2)CCCOC3=CC(=C4)Cl.O=C(O)\C=C\C(=O)O
• InChI: 1S/C20H23ClN2O.C4H4O4/c21-16-8-9-18-19(7-4-14-24-20(18)15-16)23-12-10-22(11-13-23)17-5-2-1-3-6-17;5-3(6)1-2-4(7)8/h1-3,5-6,8-9,15,19H,4,7,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: CBNGWKIAGTUUNY-WLHGVMLRSA-N

Properties

• Boiling point: 464.1°C at 760 mmHg (Cal.)
• Flash point: 234.5°C (Cal.)