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,?)-
| 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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