RefChem:138104 structure

RefChem:138104

2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate

Also Known As: EINECS 236-579-3|Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (salt)|2-hydroxy-n-{2-[(2-hydroxyethyl)(octadecanoyl)amino]ethyl}-n-methyl-n-[2-(octadecanoyloxy)ethyl]ethanaminium methyl sulfate|2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate|Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1)|Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (1:1)|2-Hydroxy-N-{2-[N-(2-hydroxyethyl)octadecanamido]ethyl}-N-methyl-N-[2-(octadecanoyloxy)ethyl]ethan-1-aminium methyl sulfate|2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)ammonium; methyl sulfate|2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium; methyl sulfate|Bis(2-hydroxyethyl)(2-(N-(2-hydroxyethyl)stearoylamino)ethyl)methylammonium methyl sulphate, stearate|bis(2-hydroxyethyl)[2-[N-(2-hydroxyethyl)stearoylamino]ethyl]methylammonium methyl sulphate, stearate|Ethanaminium, N-(2-hydroxyethyl)-N-[2-[ (2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl -2-[(1-oxooctadecyl)oxy]-, methyl sulfate (salt)|Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (salt)|Ethanaminium,N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-,methyl sulfate(salt)

CAS: 13441-22-0
Molecular Formula C46H94N2O9S
Molecular Weight 850.668 g/mol
LogP 10.41
Topological Polar Surface Area 153.5 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
Rotatable Bonds 43
Exact Mass 850.668
Heavy Atoms 58
Complexity 1001.7

Chemical Identifiers

CAS Number 13441-22-0
SMILES CCCCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO.COS(=O)(=O)[O-]

Product Overview

RefChem:138104 (CAS 13441-22-0), with molecular formula C46H94N2O9S and molecular weight 850.668 g/mol. IUPAC: 2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate.

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