53219-30-0
1,4-DIHYDRO-3,5-DICARBOXY-1,2,6-TRIMETHYL-4,4'-BIPYRIDINIUM IODIDE DIETHYL ESTER
Name1,4-DIHYDRO-3,5-DICARBOXY-1,2,6-TRIMETHYL-4,4'-BIPYRIDINIUM IODIDE DIETHYL ESTER
1Identification
【Name】
1,4-DIHYDRO-3,5-DICARBOXY-1,2,6-TRIMETHYL-4,4'-BIPYRIDINIUM IODIDE DIETHYL ESTER
【CAS】
【MDL】
MFCD01740623
【English Synonyms】
【Formula】
C19 H25 N2 O4 . I
【MolWeight】
472.316
【Inchi】
InChI=1S/C19H24N2O4.HI/c1-6-24-18(22)15-12(3)20-13(4)16(19(23)25-7-2)17(15)14-9-8-10-21(5)11-14;/h8-11,17H,6-7H2,1-5H3;1H
【InChIKey】
InChIKey=NSPCRBJZNUCBCI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(NC(=C(C1c2ccc[n+](c2)C)C(=O)OCC)C)C.[I-]
【MOL File】
1,4-DIHYDRO-3,5-DICA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIHYDRO-3,5-DICARBOXY-1,2,6-TRIMETHYL-4,4'-BIPYRIDINIUM IODIDE DIETHYL ESTER.cml