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Home > Imidazoles > 145022-49-7
145022-49-7 | 1H-Imidazolium, 3-butyl-1-ethyl-, methanesulfonate (1:1)
CAS No: 145022-49-7 Catalog No: AG001KHC MDL No:
Product Description
Catalog Number:
AG001KHC
Chemical Name:
1H-Imidazolium, 3-butyl-1-ethyl-, methanesulfonate (1:1)
CAS Number:
145022-49-7
Molecular Formula:
C10H22N2O3S
Molecular Weight:
250.3583
IUPAC Name:
1-butyl-3-ethyl-1,2-dihydroimidazol-1-ium;methanesulfonate
InChI:
InChI=1S/C9H18N2.CH4O3S/c1-3-5-6-11-8-7-10(4-2)9-11;1-5(2,3)4/h7-8H,3-6,9H2,1-2H3;1H3,(H,2,3,4)
InChI Key:
YONMMSYNJKZPPT-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)C.CCCCN1C=C[NH+](C1)CC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.135g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.357g/mol
Monoisotopic Mass:
250.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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