Chemical Name: Clemastine fumarate
Molecular Formula: C25H30ClNO5
Molecular Weight: 460.0
InChI Key: PMGQWSIVQFOFOQ-YKVZVUFRSA-N
InChI: InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1

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:	Clemastine fumarate
Flash_Point:	211ºC
Melting_Point:	61 °C
FW:	459.962
Density:	1.097 g/cm3
CAS:	14976-57-9
Bolling_Point:	116 °C / 24mmHg
MF:	C25H30ClNO5

LogP:	4.75410
Flash_Point:	211ºC
Refractive_Index:	1.553
FW:	459.962
Density:	1.097 g/cm3
Bolling_Point:	116 °C / 24mmHg
Computational_Chemistry:	['1. XlogP ', '2. Hydrogen Bond Donor Count 2 ', '3. Hydrogen Bond Acceptor Count 6 ', '4旋转化学键数量；8 ', '5. Isotope Atom Count ', '6. TPSA ；871 ', '7. Heavy Atom Count 32 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 495 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 15 . Covalently-Bonded Unit Count 2']
Melting_Point:	61 °C
PSA:	87.07000
MF:	C25H30ClNO5
More_Info:	['1. Appearance White 结晶形粉末，无臭，味苦。 ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）100 ', '5. Boiling point（ºC,Atmospheric pressure）Unknow ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）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 在甲醇中微溶，在氯仿or Water 中极微溶解。']
Vapor_Pressure:	1.94E-07mmHg at 25°C
Exact_Mass:	459.181244