77985-05-8
3',5'-DICARBOXY-1,2',6'-TRIMETHYL-4,4'-BIPYRIDINIUM IODIDE DIETHYL ESTER
Name3',5'-DICARBOXY-1,2',6'-TRIMETHYL-4,4'-BIPYRIDINIUM IODIDE DIETHYL ESTER
pro_formulaC19 H23 N2 O4 . I
1Identification
【Name】
3',5'-DICARBOXY-1,2',6'-TRIMETHYL-4,4'-BIPYRIDINIUM IODIDE DIETHYL ESTER
【CAS】
【MDL】
MFCD01740619
【EnglishSynonyms】
【pro_formula】
C19 H23 N2 O4 . I
【pro_molWeight】
470.301
【Inchi】
InChI=1S/C19H23N2O4.HI/c1-6-24-18(22)15-12(3)20-13(4)16(19(23)25-7-2)17(15)14-8-10-21(5)11-9-14;/h8-11H,6-7H2,1-5H3;1H/q+1;/p-1
【InChIKey】
InChIKey=FEWMJQGTQRDMBY-UHFFFAOYSA-M
【SMILES】
CCOC(=O)c1c(nc(c(c1c2cc[n+](cc2)C)C(=O)OCC)C)C.[I-]
【MOL File】
3',5'-DICARBOXY-1,2'….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3',5'-DICARBOXY-1,2',6'-TRIMETHYL-4,4'-BIPYRIDINIUM IODIDE DIETHYL ESTER.cml