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N,N'-(3,3'-Dimethyl-4,4'-biphenyldiyl)bis(3-oxobutanamide)

Catalog No: FT-0653928

CAS No: 91-96-3

Chemical Name: N,N'-(3,3'-Dimethyl-4,4'-biphenyldiyl)bis(3-oxobutanamide)
Molecular Formula: C22H24N2O4
Molecular Weight: 380.4
InChI Key: CRRLDLPBQWRVGN-UHFFFAOYSA-N
InChI: InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)

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:	200 °C
CAS:	91-96-3
MF:	C22H24N2O4
Flash_Point:	N/A
Product_Name:	N,N'-Bis(acetoacetyl)-o-toluidine
Density:	1.212 g/cm3
FW:	380.43700
Bolling_Point:	612.6ºC at 760 mmHg

LogP:	3.95160
Bolling_Point:	612.6ºC at 760 mmHg
FW:	380.43700
PSA:	92.34000
Computational_Chemistry:	['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :36 ', '6. TPSA 923 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :551 ', '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']
Melting_Point:	200 °C
MF:	C22H24N2O4
Exact_Mass:	380.17400
Molecular_Structure:	['1 疏水参数计算参考值（XlogP）34 ', '2 氢键供体数量2 ', '3 氢键受体数量4 ', '4 可旋转化学键数量7 ', '5 互变异构体数量36 ', '6 拓扑分子极性表面积（TPSA）923 ', '7 重原子数量28 ', '8 表面电荷0 ', '9 复杂度551 ', '10同位素原子数量0 ', '11确定原子立构中心数量0 ', '12不确定原子立构中心数量0 ', '13确定化学键立构中心数量0 ', '14不确定化学键立构中心数量0 ', '15共价键单元数量1']
Density:	1.212 g/cm3
More_Info:	['1 . Appearance White or 淡Yellow 粉末。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）204～205 ', '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 Insoluble in Water 。能Soluble in Ethanol 苯。在硫酸or 氢氧化钠溶液中呈Colourless 溶液。']