4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonic acid;trifluoromethanesulfonate


Chemical Name: 4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonic acid;trifluoromethanesulfonate
CAS Number: 439937-63-0
Product Number: AG0072LJ(AGN-PC-009UQP)
Synonyms:
MDL No: MFCD07784446
Molecular Formula: C12H21F3N2O6S2
Molecular Weight: 410.4301

Identification/Properties


Computed Properties
Molecular Weight:
410.423g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
8
Exact Mass:
410.079g/mol
Monoisotopic Mass:
410.079g/mol
Topological Polar Surface Area:
137A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
445
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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