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Name |
4-Methylpyridinium decyl sulphate |
EINECS | 282-330-7 |
CAS No. | 84176-63-6 | Density | N/A |
PSA | 84.87000 | LogP | 5.41730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H29NO4S | Boiling Point | 470.2 °C at 760 mmHg |
Molecular Weight | 331.4708 | Flash Point | 238.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-PICOLINE LAURYL SULFATE;4-methylpyridinium decyl sulphate;4-PICOLINE DODECYL SULFATE);Einecs 282-330-7 |
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