Decanoic Acid, 1-((Octahydro-1,3-Dioxo-2H-Isoindol-2-Yl)Methyl)-2-(4-( 2-Pyridinyl)-1-Piperazinyl)Ethyl Ester, (Z)-2-Butenedioate (1:2)
[CAS# 84916-57-4]

Identification

• Name: Decanoic Acid, 1-((Octahydro-1,3-Dioxo-2H-Isoindol-2-Yl)Methyl)-2-(4-( 2-Pyridinyl)-1-Piperazinyl)Ethyl Ester, (Z)-2-Butenedioate (1:2)
• Synonyms: But-2-Enedioic Acid; [1-[(1,3-Dioxo-3A,4,5,6,7,7A-Hexahydroisoindol-2-Yl)Methyl]-2-[4-(2-Pyridyl)Piperazin-1-Yl]Ethyl] Decanoate; But-2-Enedioic Acid; Decanoic Acid [1-[(1,3-Dioxo-3A,4,5,6,7,7A-Hexahydroisoindol-2-Yl)Methyl]-2-[4-(2-Pyridyl)-1-Piperazinyl]Ethyl] Ester; But-2-Enedioic Acid; Capric Acid [1-[(1,3-Diketo-3A,4,5,6,7,7A-Hexahydroisoindol-2-Yl)Methyl]-2-[4-(2-Pyridyl)Piperazin-1-Yl]Ethyl] Ester
• Molecular Formula: C₃₈H₅₄N₄O₁₂
• Molecular Weight: 758.86
• CAS Registry Number: 84916-57-4
• SMILES: C1=CC=CN=C1N4CCN(CC(OC(=O)CCCCCCCCC)CN2C(=O)C3C(C2=O)CCCC3)CC4.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C30H46N4O4.2C4H4O4/c1-2-3-4-5-6-7-8-16-28(35)38-24(23-34-29(36)25-13-9-10-14-26(25)30(34)37)22-32-18-20-33(21-19-32)27-15-11-12-17-31-27;2*5-3(6)1-2-4(7)8/h11-12,15,17,24-26H,2-10,13-14,16,18-23H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: FXJZRGQWHVLWDC-LVEZLNDCSA-N

Properties

• Boiling point: 681.1°C at 760 mmHg (Cal.)
• Flash point: 365.7°C (Cal.)