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6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium;methyl sulfate

Catalog No: FT-0770693

CAS No: 25910-85-4

Chemical Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium;methyl sulfate
Molecular Formula: C21H22N2O7S
Molecular Weight: 446.5
InChI Key: ZXQHSPWBYMLHLB-BXTVWIJMSA-M
InChI: InChI=1S/C20H19N2O3.CH4O4S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-5-6(2,3)4/h4-14H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b9-7+;

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:	25910-85-4
MF:	C21H22N2O7S
Density:	N/A
Melting_Point:	260-262 °C(lit.)
Product_Name:	6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium,methyl sulfate
Flash_Point:	N/A
FW:	446.474

PSA:	133.74000
MF:	C21H22N2O7S
LogP:	4.83860
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 134 ', '7. Heavy Atom Count :31 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :567 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
More_Info:	['1 . Appearance Yellow 粉末 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）260-262 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kpa,20ºC）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:	446.114777
FW:	446.474
Melting_Point:	260-262 °C(lit.)

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
WGK_Germany:	3
Hazard_Codes:	Xi: Irritant;
HS_Code:	2933499090
Risk_Statements(EU):	R36/37/38
RIDADR:	NONH for all modes of transport
Safety_Statements:	S26-S36