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Home > Imidazoles > 145022-45-3
145022-45-3 | 1H-Imidazolium, 3-ethyl-1-methyl-, methanesulfonate (1:1)
CAS No: 145022-45-3 Catalog No: AG001KHD MDL No:MFCD06798171
Product Description
Catalog Number:
AG001KHD
Chemical Name:
1H-Imidazolium, 3-ethyl-1-methyl-, methanesulfonate (1:1)
CAS Number:
145022-45-3
Molecular Formula:
C7H16N2O3S
Molecular Weight:
208.2785
MDL Number:
MFCD06798171
IUPAC Name:
1-ethyl-3-methylimidazol-3-ium;methanesulfonate
InChI:
InChI=1S/C6H11N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
IXLWEDFOKSJYBD-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C.CCN1C=C[NH+](C1)C
EC Number:
604-453-0
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.26g/mol
Monoisotopic Mass:
206.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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