HEXACYCLEN TRISULFATE

Catalog No: FT-0640363

CAS No: 56187-09-8

Chemical Name: HEXACYCLEN TRISULFATE
Molecular Formula: C12H36N6O12S3
Molecular Weight: 552.7
InChI Key: UXVDKNLOZWKLJC-UHFFFAOYSA-N
InChI: InChI=1S/C12H30N6.3H2O4S/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;3*1-5(2,3)4/h13-18H,1-12H2;3*(H2,1,2,3,4)

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:	56187-09-8
MF:	C12H36N6O12S3
Flash_Point:	243.9ºC
Product_Name:	hexacyclen trisulfate
Density:	N/A
FW:	552.64200
Bolling_Point:	449.8ºC at 760 mmHg

MF:	C12H36N6O12S3
Flash_Point:	243.9ºC
LogP:	0.79440
FW:	552.64200
PSA:	321.12000
Bolling_Point:	449.8ºC at 760 mmHg
More_Info:	['1 . Appearance 米Yellow 晶体 ', '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']
Computational_Chemistry:	['1 . XlogP N/A可用 ', '2 . Hydrogen Bond Donor Count 6 ', '3 . Hydrogen Bond Acceptor Count 12 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 340 ', '6 . Heavy Atom Count 33 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 170 ', '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 0 ', '14 . Covalently-Bonded Unit Count 4']
Exact_Mass:	552.15500