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68039-12-3

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Basic Information
CAS No.: 68039-12-3
Name: 1-ethyl-2-(8-heptadecyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
Molecular Structure:
Molecular Structure of 68039-12-3 (1-ethyl-2-(8-heptadecyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate)
Formula: C24H48N2O5S
Molecular Weight: 476.7133
Synonyms: 1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-3-ethylimidazolinium, ethosulfate;
EINECS: 268-232-7
PSA: 112.29000
LogP: 5.74480
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Specification

The Colasove OES, with the CAS registry number 68039-12-3, is also known as 1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-3-ethylimidazolinium, ethosulfate. This chemical's molecular formula is C24H48N2O5S and molecular weight is 476.7133. What's more, its IUPAC name is called 2-[3-Ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol; hydrogen sulfate.

Physical properties about Colasove OES are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 19; (4)Polar Surface Area: 15.48 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]S(=O)(=O)O.OCC/[N+]1=C(/N(CC)CC1)CCCCCCC/C=C/CCCCCCCC
(2) InChI: InChI=1/C24H47N2O.H2O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-5(2,3)4/h11-12,27H,3-10,13-23H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1/b12-11+;
(3) InChIKey: JVYWDOWGIMOYPD-IJFFQOJOBH