C42H80N3O.C2H5O4S structure

C42H80N3O.C2H5O4S

N-[2-(3-ethyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadec-9-enamide;ethyl sulfate

Also Known As: EINECS 268-166-9|1-(2-Oleamidoethyl)-2-(8-heptadecenyl)-3-ethylimidazolinium, ethosulfate|1-(2-Oleamidoethyl)-2-(8-heptadecenyl)-3-ethylimidazulinium, ethosulfate|1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate|(Z,)-1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium ethyl sulphate|1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)-, ethyl sulfate (1:1)|1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, ethyl sulfate|1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, (Z,?)-, ethyl sulfate|1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, ethyl sulfate, (Z,?)-

CAS: 68016-01-3
Molecular Formula C44H85N3O5S
Molecular Weight 767.621 g/mol
LogP 11.41
Topological Polar Surface Area 101.78 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 36
Exact Mass 767.621
Heavy Atoms 53
Complexity 1028.1

Chemical Identifiers

CAS Number 68016-01-3
SMILES CCCCCCCCC=CCCCCCCCC1=[N+](CCN1CC)CCNC(=O)CCCCCCCC=CCCCCCCCC.CCOS(=O)(=O)[O-]

Product Overview

C42H80N3O.C2H5O4S (CAS 68016-01-3), with molecular formula C44H85N3O5S and molecular weight 767.621 g/mol. IUPAC: N-[2-(3-ethyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadec-9-enamide;ethyl sulfate.

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