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4-methylbenzenesulfonate;trimethyl(2-propanoyloxyethyl)azanium

Catalog No: FT-0723180

CAS No: 1866-13-3

Chemical Name: 4-methylbenzenesulfonate;trimethyl(2-propanoyloxyethyl)azanium
Molecular Formula: C15H25NO5S
Molecular Weight: 331.4
InChI Key: QEWHHEJZLZTUQT-UHFFFAOYSA-M
InChI: InChI=1S/C8H18NO2.C7H8O3S/c1-5-8(10)11-7-6-9(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	N/A
CAS:	1866-13-3
MF:	C15H25NO5S
Density:	N/A
Melting_Point:	120ºC
Product_Name:	4-methylbenzenesulfonate,trimethyl(2-propanoyloxyethyl)azanium
Flash_Point:	N/A
FW:	331.428

PSA:	91.88000
MF:	C15H25NO5S
LogP:	2.62570
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 919 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :320 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）120 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，13mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Exact_Mass:	331.145355
FW:	331.428
Melting_Point:	120ºC