ammonium,diethyl(2-hydroxyethyl)methyl-,bromide,benzilate(ester)

Catalog No: FT-0653810

CAS No: 3166-62-9

Chemical Name: ammonium,diethyl(2-hydroxyethyl)methyl-,bromide,benzilate(ester)
Molecular Formula: C21H28BrNO3
Molecular Weight: 422.4 g/mol
InChI Key: DKMVJQCQTCLYIF-UHFFFAOYSA-M
InChI: InChI=1S/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/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

Melting_Point:	N/A
CAS:	3166-62-9
MF:	C21H28BrNO3
Flash_Point:	N/A
Product_Name:	Methylbenactyzium Bromide
Density:	N/A
FW:	422.356
Bolling_Point:	N/A

MF:	C21H28BrNO3
Exact_Mass:	421.125244
FW:	422.356
PSA:	46.53000
Molecular_Structure:	['1. Molar refractive index 无可用 ', '2 . Molar volume 无可用 ', '3 . Parachor （902K）无可用 ', '4 . Surface tension 无可用 ', '5 . Polarizability 无可用']
More_Info:	['1 . Appearance White 结晶or 结晶性粉末；无臭味极苦。 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）168-172 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 在Water 中易溶，在 Ethanol 中溶解，在醋酐中微溶，在 Ethyl ether 中几乎不溶。']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :26 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :389 ', '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']