36536-22-8
1,1',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE IODIDE
Name1,1',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE IODIDE
1Identification
【Name】
1,1',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE IODIDE
【CAS】
【MDL】
MFCD00011949
【English Synonyms】
【Formula】
C27 H31 N2 . I
【MolWeight】
510.456
【Inchi】
InChI=1S/C27H31N2.HI/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1
【InChIKey】
InChIKey=UANMYOBKUNUUTR-UHFFFAOYSA-M
【SMILES】
CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C\3/C(c4ccccc4N3C)(C)C)C)C.[I-]
【MOL File】
1,1',3,3,3',3'-HEXAM….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',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE IODIDE.cml