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N-Heptyl-N',N'-Bis[8-({3-[Heptyl(Methyl)Amino]-3-Oxopropanoyl}Amino)Octyl]-N-Methylmalonamide
[CAS# 135734-39-3]

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Identification
Name N-Heptyl-N',N'-Bis[8-({3-[Heptyl(Methyl)Amino]-3-Oxopropanoyl}Amino)Octyl]-N-Methylmalonamide
Synonyms ETH 7025; Magnesium ionophore IV; MAGNESIUMIONOPHOREIV
Molecular Formula C49H94N6O6
Molecular Weight 863.31
CAS Registry Number 135734-39-3
SMILES O=C(N(CCCCCCC)C)CC(=O)N(CCCCCCCCNC(=O)CC(=O)N(CCCCCCC)C)CCCCCCCCNC(=O)CC(=O)N(CCCCCCC)C
InChI 1S/C49H94N6O6/c1-7-10-13-22-29-36-52(4)46(58)41-44(56)50-34-27-20-16-18-25-32-39-55(49(61)43-48(60)54(6)38-31-24-15-12-9-3)40-33-26-19-17-21-28-35-51-45(57)42-47(59)53(5)37-30-23-14-11-8-2/h7-43H2,1-6H3,(H,50,56)(H,51,57)
InChIKey JYBGTBZZVHYIJI-UHFFFAOYSA-N
Properties
Density 0.996g/cm3 (Cal.)
Boiling point 961.606°C at 760 mmHg (Cal.)
Flash point 535.36°C (Cal.)
Refractive index 1.492 (Cal.)
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