| CAS Number | 134339-08-5 |
| Catalog Number | AG009GMT(AGN-PC-0WNHC8) |
| Chemical Name | 1,1'-Dibutyl-3,3,3',3'-Tetramethylindotricarbocyanine Hexafluorophosphate |
| IUPAC Name | (2E)-1-butyl-2-[(2E,4E,6E)-7-(1-butyl-3,3-dimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethylindole;hexafluorophosphate |
| InChI | InChI=1S/C35H45N2.F6P/c1-7-9-26-36-30-22-18-16-20-28(30)34(3,4)32(36)24-14-12-11-13-15-25-33-35(5,6)29-21-17-19-23-31(29)37(33)27-10-8-2;1-7(2,3,4,5)6/h11-25H,7-10,26-27H2,1-6H3;/q+1;-1 |
| InChI Key | GUFQKTNQEKEMJE-UHFFFAOYSA-N |
| MDL Number | MFCD27966053 |
| Molecular Formula | C35H45F6N2P |
| Molecular Weight | 638.7094 |
| SMILES | CCCCN1C2=CC=CC=C2C(/C1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCC)(C)C.F[P-](F)(F)(F)(F)F |
| Synonyms | 1,1'-Dibutyl-3,3,3',3'-tetramethylindotricarbocyanine Hexafluorophosphate,
134339-08-5,
|
| Complexity | 905 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Exact Mass | 638.322g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 638.723g/mol |
| Monoisotopic Mass | 638.322g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 6.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number