| CAS Number | 909390-59-6 |
| Catalog Number | AG01DFDT(AGN-PC-0VREMZ) |
| Chemical Name | 1-Methyl-3-(4-sulfobutyl)imidazolium Bis(trifluoromethanesulfonyl)imide |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid |
| InChI | InChI=1S/C8H14N2O3S.C2F6NO4S2/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8H,2-4,7H2,1H3;/q;-1/p+1 |
| InChI Key | PXYKADKIWNXJNF-UHFFFAOYSA-O |
| MDL Number | MFCD12761444 |
| Molecular Formula | C10H15F6N3O7S3 |
| Molecular Weight | 499.4274 |
| SMILES | FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.C[n+]1ccn(c1)CCCCS(=O)(=O)O |
| Synonyms | SCHEMBL34550,
MFCD29066050,
1-(4-sulfobutyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)imide,
1-methyl-3-(4-sulfobutyl)imidazolium bis(trifluoromethanesulfonyl)imide,
909390-59-6,
|
| Complexity | 634 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 498.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 499.414g/mol |
| Monoisotopic Mass | 498.998g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 158A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number