Chemical Name: NEURODYE RH-461
Molecular Formula: C25H37Br2N3
Molecular Weight: 539.4
InChI Key: COTJMUJHRGTONC-UHFFFAOYSA-L
InChI: InChI=1S/C25H37N3.2BrH/c1-6-27(7-2)25-15-13-23(14-16-25)11-8-9-12-24-17-20-26(21-18-24)19-10-22-28(3,4)5;;/h8-9,11-18,20-21H,6-7,10,19,22H2,1-5H3;2*1H/q+2;;/p-2

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:	neurodye rh-461
Flash_Point:	N/A
Melting_Point:	N/A
FW:	539.38900
Density:	N/A
CAS:	108641-88-9
Bolling_Point:	N/A
MF:	C25H37Br2N3

Computational_Chemistry:	['1 . XlogP 51 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 10 ', '5 . TPSA 71 ', '6 . Heavy Atom Count 28 ', '7 . Topological Polar Surface Area 2 ', '8 . Complexity 457 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 2 ', '14 . Covalently-Bonded Unit Count 1']
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']
FW:	539.38900
PSA:	7.12000
MF:	C25H37Br2N3
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '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 无可用']
Exact_Mass:	537.13500