Molecular Formula: 572.5
Formula Weight: C29H37IN2O2
Inchl Key: XVLXYDXJEKLXHN-UHFFFAOYSA-M
Inchl: InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	Warning
FW:	572.52100
Density:	N/A
CAS:	53213-82-4
Bolling_Point:	N/A
Product_Name:	3,3'-Dihexyloxacarbocyanine iodide
Melting_Point:	219-221 °C(lit.)
Flash_Point:	N/A
MF:	C29H37IN2O2

Computational_Chemistry:	['1 . XlogP 91 ', '2 . Hydrogen Bond Acceptor Count 0 ', '3 . Hydrogen Bond Donor Count 3 ', '4 . Rotatable Bond Count 12 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 295 ', '7 . Topological Polar Surface Area 33 ', '8 . Heavy Atom Count 1 ', '9 . Complexity 581 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 2 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
LogP:	4.20760
FW:	572.52100
Melting_Point:	219-221 °C(lit.)
More_Info:	['1 . Appearance 粉末 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）215-219 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，3mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºC）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']
PSA:	35.09000
MF:	C29H37IN2O2
Exact_Mass:	572.19000

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xi
Risk_Statements(EU):	R36/37/38
Safety_Statements:	S26-S36
Symbol:	Warning
RIDADR:	NONH for all modes of transport
Warning_Statement:	P261-P305 + P351 + P338
WGK_Germany:	3