Chemical Name: DIMIDIUM BROMIDE MONOHYDRATE
Molecular Formula: C20H20BrN3O
Molecular Weight: 398.3
InChI Key: NQAUNQUZHGCIBT-UHFFFAOYSA-N
InChI: InChI=1S/C20H17N3.BrH.H2O/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;;/h2-12,22H,21H2,1H3;1H;1H2

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:	230ºC
CAS:	37889-60-4
MF:	C20H20BrN3O
Flash_Point:	N/A
Product_Name:	Dimidium bromide monohydrate
Density:	N/A
FW:	398.29600
Bolling_Point:	N/A

Melting_Point:	230ºC
MF:	C20H20BrN3O
Exact_Mass:	397.07900
LogP:	1.75100
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:	398.29600
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）230 ', '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']
PSA:	65.15000
Computational_Chemistry:	['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :13 ', '6. TPSA 559 ', '7. Heavy Atom Count :23 ', '8. Topological Polar Surface Area :1 ', '9. Complexity :406 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']