4-(4-(1-Adamantanecarboxamido)butyl)-1-(2-methoxyphenyl)piperazine fumarate
[CAS# 134390-73-1]

Identification

• Name: 4-(4-(1-Adamantanecarboxamido)butyl)-1-(2-methoxyphenyl)piperazine fumarate
• Synonyms: But-2-Enedioic Acid; N-[4-[4-(2-Methoxyphenyl)-1-Piperazinyl]Butyl]-1-Adamantanecarboxamide; 4-(4-(1-Adamantanecarboxamido)Butyl)-1-(2-Methoxyphenyl)Piperazine; 4-(4-(1-Adamantanecarboxamido)Butyl)-1-(2-Methoxyphenyl)Piperazine Fumarate
• Molecular Formula: C₃₀H₄₃N₃O₆
• Molecular Weight: 541.69
• CAS Registry Number: 134390-73-1
• SMILES: C1=CC=CC(=C1N5CCN(CCCCNC(C23CC4CC(C2)CC(C3)C4)=O)CC5)OC.O=C(\C=C\C(O)=O)O
• InChI: 1S/C26H39N3O2.C4H4O4/c1-31-24-7-3-2-6-23(24)29-12-10-28(11-13-29)9-5-4-8-27-25(30)26-17-20-14-21(18-26)16-22(15-20)19-26;5-3(6)1-2-4(7)8/h2-3,6-7,20-22H,4-5,8-19H2,1H3,(H,27,30);1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: NIUJUUHBUWVHLZ-WLHGVMLRSA-N

Properties

• Boiling point: 618.7°C at 760 mmHg (Cal.)
• Flash point: 328°C (Cal.)