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65121-82-6

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Basic Information
CAS No.: 65121-82-6
Name: (2-hydroxyethyl)ammonium decyl sulphate
Molecular Structure:
Molecular Structure of 65121-82-6 ((2-hydroxyethyl)ammonium decyl sulphate)
Formula: C14H33NO6S
Molecular Weight: 299.42736
Synonyms: Sulfuric acid, monodecyl ester, compd. with 2,2-iminobis(ethanol) (1:1);Decyl sulfate (1:1), diethanolamine salt;2-(2-hydroxyethylamino)ethanol; 1-sulfonatooxydecane;
EINECS: 265-464-0
Boiling Point: 523.1 °C at 760 mmHg
Flash Point: 270.1 °C
PSA: 124.47000
LogP: 2.97880
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Specification

The Diethanolamine decyl sulfate, with the CAS registry number 65121-82-6, is also known as Sulfuric acid, monodecyl ester, compd. with 2,2'-iminobis(ethanol) (1:1). This chemical's molecular formula is C14H33NO6S and molecular weight is 343.47992. Its IUPAC name is called decyl hydrogen sulfate; 2-(2-hydroxyethylamino)ethanol. 

Physical properties of Diethanolamine decyl sulfate: (1)ACD/LogP: 4.33; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.71; (7)ACD/KOC (pH 7.4): 1.71; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 10; (11)Flash Point: 270.1 °C; (12)Enthalpy of Vaporization: 91.66 kJ/mol; (13)Boiling Point: 523.1 °C at 760 mmHg; (14)Vapour Pressure: 3.98E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCOS(=O)(=O)O.C(CO)NCCO
(2)InChI: InChI=1S/C10H22O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;6-3-1-5-2-4-7/h2-10H2,1H3,(H,11,12,13);5-7H,1-4H2
(3)InChIKey: HOWCFKIBHGUVKK-UHFFFAOYSA-N