N³,N³',N³''-(Benzene-1,3,5-Triyltri-5,1-Pentanediyl)Tris[N¹-(Adamantan-1-Yl)-N¹-Methylmalonamide]
[CAS# 151058-38-7]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Common analytical reagents
• Name: N³,N³',N³''-(Benzene-1,3,5-Triyltri-5,1-Pentanediyl)Tris[N¹-(Adamantan-1-Yl)-N¹-Methylmalonamide]
• Synonyms: 1,3,5-Tris[10-(1-adamantyl)-7,9-dioxo-6,10-diazaundecyl]benzene; ETH 5506; Magnesium ionophore VI
• Molecular Formula: C₆₃H₉₆N₆O₆
• Molecular Weight: 1033.47
• CAS Registry Number: 151058-38-7
• SMILES: O=C(N(C13CC2CC(C1)CC(C2)C3)C)CC(=O)NCCCCCc4cc(cc(c4)CCCCCNC(=O)CC(=O)N(C57CC6CC(C5)CC(C6)C7)C)CCCCCNC(=O)CC(=O)N(C)C8%10CC9CC(CC(C8)C9)C%10
• InChI: 1S/C63H96N6O6/c1-67(61-34-46-22-47(35-61)24-48(23-46)36-61)58(73)31-55(70)64-16-10-4-7-13-43-19-44(14-8-5-11-17-65-56(71)32-59(74)68(2)62-37-49-25-50(38-62)27-51(26-49)39-62)21-45(20-43)15-9-6-12-18-66-57(72)33-60(75)69(3)63-40-52-28-53(41-63)30-54(29-52)42-63/h19-21,46-54H,4-18,22-42H2,1-3H3,(H,64,70)(H,65,71)(H,66,72)
• InChIKey: ODMHCQNFQKBJOO-UHFFFAOYSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Refractive index: 1.597 (Cal.)