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| CAS No.: | 25446-78-0 |
|---|---|
| Name: | sodium 2-[2-[2-(tridecyloxy)ethoxy]ethoxy]ethyl sulphate |
| Molecular Structure: | |
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| Formula: | C19H39NaO7S |
| Molecular Weight: | 434.56353 |
| Synonyms: | Ethanol,2-[2-[2-(tridecyloxy)ethoxy]ethoxy]-, hydrogen sulfate, sodium salt (8CI,9CI);Sodium tridecyltriethoxysulfate;Sodium triethylene glycol tridecyl ethersulfate; |
| EINECS: | 246-985-2 |
| PSA: | 102.50000 |
| LogP: | 4.90480 |
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Specification
The Ethanol,2-[2-[2-(tridecyloxy)ethoxy]ethoxy]-, 1-(hydrogen sulfate), sodium salt (1:1) is an organic compound with the formula C19H39NaO7S. The IUPAC name of this chemical is sodium 2-[2-(2-tridecoxyethoxy)ethoxy]ethyl sulfate. With the CAS registry number 25446-78-0, it is also named as Sodium tridecyl tri(oxyethyl) sulfate.
Physical properties about Ethanol,2-[2-[2-(tridecyloxy)ethoxy]ethoxy]-, 1-(hydrogen sulfate), sodium salt (1:1) are:
(1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 1.73; (6)ACD/BCF (pH 7.4): 1.73; (7)ACD/KOC (pH 5.5): 5.21; (8)ACD/KOC (pH 7.4): 5.21; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 99.67 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].[O-]S(=O)(=O)OCCOCCOCCOCCCCCCCCCCCCC;
(2)Std. InChI:InChI=1S/C19H40O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-14-15-24-16-17-25-18-19-26-27(20,21)22;/h2-19H2,1H3,(H,20,21,22);/q;+1/p-1;
(3)Std. InChIKey:KLYDBHUQNXKACI-UHFFFAOYSA-M.