7310-87-4
3,3'-DIETHYL-9-METHYL-SELENOCARBOCYANINE IODIDE
Name3,3'-DIETHYL-9-METHYL-SELENOCARBOCYANINE IODIDE
FormulaC22 H23 N2 Se2 . I
1Identification
【Name】
3,3'-DIETHYL-9-METHYL-SELENOCARBOCYANINE IODIDE
【CAS】
【MDL】
MFCD00050295
【English Synonyms】
【Formula】
C22 H23 N2 Se2 . I
【MolWeight】
600.258
【Inchi】
InChI=1S/C22H23N2Se2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=PEZDYXDCLKSWAD-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2ccccc2[se]c1/C=C(\C)/C=C\3/N(c4ccccc4[Se]3)CC.[I-]
【MOL File】
3,3'-DIETHYL-9-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,3'-DIETHYL-9-METHYL-SELENOCARBOCYANINE IODIDE.cml