Chemical Name: Domiphen bromide
Molecular Formula: C22H40BrNO
Molecular Weight: 414.5
InChI Key: OJIYIVCMRYCWSE-UHFFFAOYSA-M
InChI: InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;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

Product_Name:	Domiphen bromide
Flash_Point:	N/A
Melting_Point:	117-119 °C(lit.)
FW:	414.463
Density:	N/A
CAS:	538-71-6
Bolling_Point:	N/A
MF:	C22H40BrNO

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :15 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :271 ', '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']
LogP:	3.06670
Melting_Point:	117-119 °C(lit.)
FW:	414.463
More_Info:	['1 . Appearance White or 微Yellow 结晶 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）117-119 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）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 . Solubility Soluble in Water ']
PSA:	9.23000
MF:	C22H40BrNO
Exact_Mass:	413.229309

Hazard_Codes:	Xi:Irritant
RTECS:	BQ2030000
Risk_Statements(EU):	R36/37/38
Packing_Group:	III
Hazard_Class:	6.1
RIDADR:	UN 2811 6.1/PG 3
HS_Code:	2942000000
WGK_Germany:	3
Safety_Statements:	S26-S36