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N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide

Catalog No: FT-0724157

CAS No: 85532-75-8

Chemical Name: N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
Molecular Formula: C21H21ClN2O
Molecular Weight: 352.9
InChI Key: RAVIZVQZGXBOQO-UHFFFAOYSA-N
InChI: InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3

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

FW:	352.857
CAS:	85532-75-8
Bolling_Point:	511.7±45.0 °C at 760 mmHg
MF:	C21H21ClN2O
Product_Name:	PK11195
Melting_Point:	74-75
Flash_Point:	263.3±28.7 °C
Density:	1.2±0.1 g/cm3

FW:	352.857
MF:	C21H21ClN2O
LogP:	4.58
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC035mmHg）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（Pa,）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（正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']
Melting_Point:	74-75
Bolling_Point:	511.7±45.0 °C at 760 mmHg
Exact_Mass:	352.134247
Vapor_Pressure:	0.0±1.3 mmHg at 25°C
Computational_Chemistry:	['1. XlogP :55 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 332 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :457 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA:	33.20000
Refractive_Index:	1.611
Flash_Point:	263.3±28.7 °C
Density:	1.2±0.1 g/cm3