4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonate


Chemical Name: 4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonate
CAS Number: 439937-61-8
Product Number: AG00DLL5(AGN-PC-00SFM5)
Synonyms:
MDL No:
Molecular Formula: C11H20N2O3S
Molecular Weight: 260.3531

Identification/Properties


Computed Properties
Molecular Weight:
262.368g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
262.135g/mol
Monoisotopic Mass:
262.135g/mol
Topological Polar Surface Area:
69.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
335
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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