| CAS Number | 187863-42-9 |
| Catalog Number | AG002GJ4(AGN-PC-0QGY1L) |
| Chemical Name | Pyridinium, 1-butyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1) |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-butylpyridin-1-ium |
| InChI | InChI=1S/C9H14N.C2F6NO4S2/c1-2-3-7-10-8-5-4-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1 |
| InChI Key | XHIHMDHAPXMAQK-UHFFFAOYSA-N |
| MDL Number | MFCD16038143 |
| Molecular Formula | C11H14F6N2O4S2 |
| Molecular Weight | 416.3603 |
| SMILES | CCCC[N+]1=CC=CC=C1.FC(F)(S(=O)([N-]S(=O)(C(F)(F)F)=O)=O)F |
| Synonyms | 187863-42-9,
1-Butylpyridinium Bis(trifluoromethanesulfonyl)imide,
N-butylpyridinium bis((trifluoromethyl)sulfonyl)imide,
SCHEMBL1358752,
XHIHMDHAPXMAQK-UHFFFAOYSA-N,
MFCD16038143,
AKOS005145867,
B5571,
1-Butylpyridinium bis(trifluoromethylsulfonyl)imide,
N-butylpyridinium bis(trifluoromethylsulfonyl)imide,
1-butylpyridinium bis(trifluoromethanesulfonyl)amide,
N-butylpyridinium bis(trifluoromethylsulfony)imide,
|
| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.353g/mol |
| Monoisotopic Mass | 416.03g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number