C25H52NO4.CH3O4S structure

C25H52NO4.CH3O4S

bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium;methyl hydrogen sulfate

Also Known As: EINECS 249-173-6|bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)ammonium; methyl hydrogen sulfate|(Bis(2-hydroxyethyl))methyl(2-((1-oxooctadecyl)oxy)ethyl)ammonium methyl sulphate|Ethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1)|Ethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (salt)|[bis(2-Hydroxyethyl)]methyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate|bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium; methyl hydrogen sulfate|Ethanaminium, N,N-bis(2-hydroxyethyl)-N- methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (salt)|Ethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (salt)

CAS: 28706-44-7
Molecular Formula C26H56NO8S+
Molecular Weight 542.3727 g/mol
LogP 4.66
Topological Polar Surface Area 130.36 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
Rotatable Bonds 24
Exact Mass 542.3727
Heavy Atoms 36
Complexity 580.5

Chemical Identifiers

CAS Number 28706-44-7
SMILES CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCO.COS(=O)(=O)O

Product Overview

C25H52NO4.CH3O4S (CAS 28706-44-7), with molecular formula C26H56NO8S+ and molecular weight 542.3727 g/mol. IUPAC: bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium;methyl hydrogen sulfate.

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