| CAS Number | 108228-37-1 |
| Catalog Number | AG00IMEO(AGN-PC-0NWVU2) |
| Chemical Name | 1,1'-Bis[3-(trimethylammonio)propyl]-4,4'-bipyridinium tetrachloride |
| IUPAC Name | trimethyl-[3-[4-[1-[3-(trimethylazaniumyl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]azanium;tetrachloride;dihydrate |
| InChI | InChI=1S/C22H38N4.4ClH.2H2O/c1-25(2,3)19-7-13-23-15-9-21(10-16-23)22-11-17-24(18-12-22)14-8-20-26(4,5)6;;;;;;/h9-12,15-18H,7-8,13-14,19-20H2,1-6H3;4*1H;2*1H2/q+4;;;;;;/p-4 |
| InChI Key | WXLWEHLFYJBURO-UHFFFAOYSA-J |
| MDL Number | MFCD31618118 |
| Molecular Formula | C22H38Cl4N4 |
| Molecular Weight | 500.3759 |
| SMILES | C[N+](CCC[N+]1=CC=C(C2=CC=[N+](CCC[N+](C)(C)C)C=C2)C=C1)(C)C.[Cl-].[Cl-].[Cl-].[Cl-] |
| Synonyms | 1,1'-Bis[3-(trimethylammonio)propyl]-4,4'-bipyridinium Tetrachloride Dihydrate,
108228-37-1,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 7 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 536.203g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 536.404g/mol |
| Monoisotopic Mass | 534.206g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 9.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number