| CAS Number | 1186103-43-4 |
| Catalog Number | AG00IMDY(AGN-PC-0WQUKI) |
| Chemical Name | Benzyl(ethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide |
| IUPAC Name | benzyl-ethyl-dimethylazanium;bis(trifluoromethylsulfonyl)azanide |
| InChI | InChI=1S/C11H18N.C2F6NO4S2/c1-4-12(2,3)10-11-8-6-5-7-9-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H,4,10H2,1-3H3;/q+1;-1 |
| InChI Key | IGABCHQKFATAOI-UHFFFAOYSA-N |
| MDL Number | MFCD18251282 |
| Molecular Formula | C13H18F6N2O4S2 |
| Molecular Weight | 444.4134 |
| SMILES | CC[N+](C)(CC1=CC=CC=C1)C.FC(F)(S(=O)([N-]S(=O)(C(F)(F)F)=O)=O)F |
| Synonyms | Benzyl(ethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide,
1186103-43-4,
SCHEMBL924683,
MFCD18251282,
B5427,
N,N-Dimethyl-N-ethyl-N-benzylammonium bis(trifluoromethanesulfonyl)imide,
N,N-dimethyl-N-ethyl-N-benzylammonium bis(trifluoromethylsulfonyl)imide,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 444.407g/mol |
| Monoisotopic Mass | 444.061g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 86A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number