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Home > Imidazoles > 852509-35-4
852509-35-4 | 1H-Imidazolium, 1-hexyl-3-methyl-, methanesulfonate
CAS No: 852509-35-4 Catalog No: AG004PTL MDL No:
Product Description
Catalog Number:
AG004PTL
Chemical Name:
1H-Imidazolium, 1-hexyl-3-methyl-, methanesulfonate
CAS Number:
852509-35-4
Molecular Formula:
C11H24N2O3S
Molecular Weight:
264.3849
IUPAC Name:
1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium;methanesulfonate
InChI:
InChI=1S/C10H20N2.CH4O3S/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-5(2,3)4/h8-9H,3-7,10H2,1-2H3;1H3,(H,2,3,4)
InChI Key:
GVIVVCMCLJCAQD-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)C.CCCCCC[NH+]1C=CN(C1)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.151g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.384g/mol
Monoisotopic Mass:
264.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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