5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide

Catalog No: FT-0638951

CAS No: 31127-80-7

Chemical Name: 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
Molecular Formula: C16H20I3N3O7
Molecular Weight: 747.06
InChI Key: BHCBLTRDEYPMFZ-UHFFFAOYSA-N
InChI: InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)

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

Molecular_Structure:	['1 . Molar refractive index 13107 ', '2 . Molar volume 3262 ', '3 . Parachor （902K）9849 ', '4 . Surface tension 830 ', '5 . Polarizability 5196']
LogP:	-3.18
Flash_Point:	405.0±32.9 °C
Refractive_Index:	1.736
FW:	747.059
Density:	2.3±0.1 g/cm3
Bolling_Point:	746.1±60.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :7 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :9 ', '6. TPSA 168 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :546 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	274-276°C
PSA:	168.22000
MF:	C16H20I3N3O7
More_Info:	['1 . Melting point（ºC）274~276']
Vapor_Pressure:	0.0±2.6 mmHg at 25°C
Exact_Mass:	746.843506