Bufotalin

Catalog No: FT-0686581

CAS No: 471-95-4

Molecular Formula: 444.6
Formula Weight: C26H36O6
Inchl Key: VOZHMAYHYHEWBW-JNUCAMJOSA-N
Inchl: InChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19?,20?,21+,23+,24+,25-,26+/m1/s1

Assay	Pack	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:	471-95-4
MF:	C26H36O6
Flash_Point:	195.8±23.6 °C
Product_Name:	Bufotaline
Density:	1.3±0.1 g/cm3
FW:	444.560
Bolling_Point:	591.7±50.0 °C at 760 mmHg

Refractive_Index:	1.587
Vapor_Pressure:	0.0±3.8 mmHg at 25°C
Flash_Point:	195.8±23.6 °C
LogP:	2.54
Bolling_Point:	591.7±50.0 °C at 760 mmHg
PSA:	96.97000
Molecular_Structure:	['1 . Molar refractive index 11989 ', '2 . Molar volume （m3/mol）3536 ', '3 . Parachor （902K）9671 ', '4 . Surface tension 559 ', '5 . Polarizability （10 -24cm 3）4752']
Computational_Chemistry:	['1 . XlogP 25 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 931 ', '7 . Heavy Atom Count 32 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 878 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 9 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
MF:	C26H36O6
Exact_Mass:	444.251190
FW:	444.560
Density:	1.3±0.1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/ m3,25/4℃）Unknow ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '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 ', '19 . Solubility Unknow']