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84176-63-6

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Basic Information
CAS No.: 84176-63-6
Name: 4-PICOLINE LAURYL SULFATE
Molecular Structure:
Molecular Structure of 84176-63-6 (4-PICOLINE LAURYL SULFATE)
Formula: C16H29NO4S
Molecular Weight: 331.4708
Synonyms: 4-PICOLINE LAURYL SULFATE;4-methylpyridinium decyl sulphate;4-PICOLINE DODECYL SULFATE);Einecs 282-330-7
EINECS: 282-330-7
Boiling Point: 470.2 °C at 760 mmHg
Flash Point: 238.1 °C
PSA: 84.87000
LogP: 5.41730
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    4-Methylpyridinium decyl sulphate

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Specification

The CAS registry number of 4-Methylpyridinium decyl sulphate is 84176-63-6. And its EINECS registry number is 282-330-7. This chemical's molecular formula is C16H29NO4S and molecular weight is 331.4708. What's more, its IUPAC name is Decyl sulfate; 4-methylpyridin-1-ium.

Physical properties about 4-Methylpyridinium decyl sulphate are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 78.69 Å2; (7)Flash Point: 238.1 °C; (8)Enthalpy of Vaporization: 77.19 kJ/mol; (9)Boiling Point: 470.2 °C at 760 mmHg; (10)Vapour Pressure: 1.21E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]S(=O)(=O)OCCCCCCCCCC.[nH+]1ccc(cc1)C
(2) InChI: InChI=1/C10H22O4S.C6H7N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-6-2-4-7-5-3-6/h2-10H2,1H3,(H,11,12,13);2-5H,1H3
(3) InChIKey: WCQCSIZGSOLROM-UHFFFAOYAS