3,3'-(1,4,10,13-Tetraoxa-7,16-Diazacyclooctadecane-7,16-Diyl)Bis[N-(Adamantan-1-Yl)-3-Oxopropanamide]
[CAS# 156210-12-7]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Common analytical reagents
• Name: 3,3'-(1,4,10,13-Tetraoxa-7,16-Diazacyclooctadecane-7,16-Diyl)Bis[N-(Adamantan-1-Yl)-3-Oxopropanamide]
• Synonyms: 4,13-[Bis(N-adamantylcarbamoyl)acetyl]-1,7,10,16,tetraoxa-4,13-diazacyclooctadecane; K22B5; Magnesium ionophore VII
• Molecular Formula: C₃₈H₆₀N₄O₈
• Molecular Weight: 700.91
• CAS Registry Number: 156210-12-7
• SMILES: O=C(NC13CC2CC(C1)CC(C2)C3)CC(=O)N7CCOCCOCCN(C(=O)CC(=O)NC46CC5CC(C4)CC(C5)C6)CCOCCOCC7
• InChI: 1S/C38H60N4O8/c43-33(39-37-21-27-13-28(22-37)15-29(14-27)23-37)19-35(45)41-1-5-47-9-10-49-7-3-42(4-8-50-12-11-48-6-2-41)36(46)20-34(44)40-38-24-30-16-31(25-38)18-32(17-30)26-38/h27-32H,1-26H2,(H,39,43)(H,40,44)
• InChIKey: IPVOJCDBVJUPRP-UHFFFAOYSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 938.237°C at 760 mmHg (Cal.)
• Flash point: 521.227°C (Cal.)
• Refractive index: 1.58 (Cal.)