| CAS Number | 178631-04-4 |
| Catalog Number | AG00AKZP(AGN-PC-0QBF2R) |
| Chemical Name | 3-METHYL-1-OCTYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium |
| InChI | InChI=1S/C12H23N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-12H,3-9H2,1-2H3;/q+1;-1 |
| InChI Key | LECQXINNQGHJBM-UHFFFAOYSA-N |
| MDL Number | MFCD08458946 |
| Molecular Formula | C14H23F6N3O4S2 |
| Molecular Weight | 475.4705 |
| SMILES | FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.CN1C=[N+](C=C1)CCCCCCCC |
| Synonyms | 178631-04-4,
1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide,
1-n-Octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide,
DSSTox_CID_27931,
DSSTox_RID_82684,
DSSTox_GSID_47955,
SCHEMBL926641,
CHEMBL3187100,
DTXSID0047955,
Tox21_200842,
NCGC00258396-01,
ACM178631044,
CAS-178631-04-4,
M3039,
1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide,
1-Methyl-3-n-octylimidazolium Bis(trifluoromethanesulfonyl)imide,
3-METHYL-1-OCTYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,
LECQXINNQGHJBM-UHFFFAOYSA-N,
MFCD08458946,
1-Methyl-3-n-octylimidazolium bis(trifluoromethylsulfonyl)imide,
|
| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 475.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 475.465g/mol |
| Monoisotopic Mass | 475.103g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number