| CAS Number | 889617-36-1 |
| Catalog Number | AG00H08H(AGN-PC-0VO8DM) |
| Chemical Name | 3,3'-Methylenebis[1-(2,6-diisopropylphenyl)-3-imidazolium Bromide] |
| IUPAC Name | 1-[2,6-di(propan-2-yl)phenyl]-3-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]imidazol-3-ium;dibromide |
| InChI | InChI=1S/C31H42N4.2BrH/c1-22(2)26-11-9-12-27(23(3)4)30(26)34-17-15-32(20-34)19-33-16-18-35(21-33)31-28(24(5)6)13-10-14-29(31)25(7)8;;/h9-18,20-25H,19H2,1-8H3;2*1H/q+2;;/p-2 |
| InChI Key | ZZGWEIDPDBDPOH-UHFFFAOYSA-L |
| MDL Number | MFCD30475658 |
| Molecular Formula | C31H42BrN4 |
| Molecular Weight | 550.5960 |
| SMILES | C(C)(C)c1c(c(C(C)C)ccc1)[n+]1cn(cc1)C[n+]1cn(cc1)c1c(C(C)C)cccc1C(C)C.[Br-] |
| Synonyms | 3,3'-Methylenebis[1-(2,6-diisopropylphenyl)-3-imidazolium Bromide],
889617-36-1,
M2791,
10.14272/ZZGWEIDPDBDPOH-UHFFFAOYSA-L,
doi:10.14272/ZZGWEIDPDBDPOH-UHFFFAOYSA-L,
|
| Complexity | 560 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 630.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 630.513g/mol |
| Monoisotopic Mass | 628.178g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 17.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number