METHYLXYLENOL BLUE

Catalog No: FT-0638851

CAS No: 29412-85-9

Chemical Name: METHYLXYLENOL BLUE
Molecular Formula: C25H29N2NaO13S
Molecular Weight: 620.6
InChI Key: VYPGOJHOWVUMIQ-UHFFFAOYSA-M
InChI: InChI=1S/C25H28N2O12S.Na.H2O/c1-14-7-18(15(2)16(24(14)36)8-26(9-20(28)29)10-21(30)31)25(13-27(11-22(32)33)12-23(34)35)17-5-3-4-6-19(17)39-40(25,37)38;;/h3-7,36H,8-13H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35);;1H2/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

Product_Name:	tetrasodium,2-[[3-[[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-2,5-dimethylphenyl]-(2-sulfonatophenyl)methylidene]-2,5-dimethyl-6-oxocyclohexa-1,4-dien-1-yl]methyl-(carboxymethyl)amino]acetate
Flash_Point:	N/A
Melting_Point:	N/A
FW:	620.55800
Density:	N/A
CAS:	29412-85-9
Bolling_Point:	N/A
MF:	C25H29N2NaO13S

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :15 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :54 ', '6. TPSA 267 ', '7. Heavy Atom Count :53 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1480 ', '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 :1 ', '15. Covalently-Bonded Unit Count :5']
LogP:	1.32120
FW:	620.55800
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, KPa）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（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,25ºC）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']
PSA:	250.72000
MF:	C25H29N2NaO13S
Exact_Mass:	620.12900