(2S)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Catalog No: FT-0772485

CAS No: 89131-09-9

Chemical Name: (2S)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid
Molecular Formula: C19H22N4O4S
Molecular Weight: 402.5
InChI Key: IIHLDMYXACDQGQ-SFHVURJKSA-N
InChI: InChI=1S/C19H22N4O4S/c1-22(2)16-9-5-14(6-10-16)20-21-15-7-11-17(12-8-15)28(26,27)23-13-3-4-18(23)19(24)25/h5-12,18H,3-4,13H2,1-2H3,(H,24,25)/t18-/m0/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

Base Information
Chemical Information

Bolling_Point:	N/A
CAS:	89131-09-9
MF:	C19H22N4O4S
Density:	N/A
Melting_Point:	172ºC
Product_Name:	(2S)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid
Flash_Point:	N/A
FW:	402.46700

PSA:	111.02000
Molecular_Structure:	['1 . Molar refractive index 10757 ', '2 . Molar volume （m3/mol）2969 ', '3 . Parachor (902K)8087 ', '4 表面张力(dyne/cm)550 ', '5 . Polarizability (10-24cm3)4264']
MF:	C19H22N4O4S
LogP:	4.42440
Computational_Chemistry:	['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 111 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :660 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）172 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）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']
Exact_Mass:	402.13600
FW:	402.46700
Refractive_Index:	1.645
Melting_Point:	172ºC