14187-31-6
1,1'-DIETHYL-2,2'-DICARBOCYANINE IODIDE
Name1,1'-DIETHYL-2,2'-DICARBOCYANINE IODIDE
1Identification
【Name】
1,1'-DIETHYL-2,2'-DICARBOCYANINE IODIDE
【CAS】
【MDL】
MFCD00041998
【English Synonyms】
【Formula】
C27 H27 N2 . I
【MolWeight】
506.424
【Inchi】
InChI=1S/C27H27N2.HI/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=ZFYDGPJXMYCXNV-UHFFFAOYSA-M
【SMILES】
CC[n+]1c(ccc2c1cccc2)/C=C/C=C/C=C/3\C=Cc4ccccc4N3CC.[I-]
【MOL File】
1,1'-DIETHYL-2,2'-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,1'-DIETHYL-2,2'-DICARBOCYANINE IODIDE.cml