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Home > Imidazoles > 840475-26-5
840475-26-5 | 1H-Imidazolium, 1,3-dimethyl-, 1-dodecanesulfonate
CAS No: 840475-26-5 Catalog No: AG008H7B MDL No:
Product Description
Catalog Number:
AG008H7B
Chemical Name:
1H-Imidazolium, 1,3-dimethyl-, 1-dodecanesulfonate
CAS Number:
840475-26-5
Molecular Formula:
C17H36N2O3S
Molecular Weight:
348.5443
IUPAC Name:
1,3-dimethyl-1,2-dihydroimidazol-1-ium;dodecane-1-sulfonate
InChI:
InChI=1S/C12H26O3S.C5H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-6-3-4-7(2)5-6/h2-12H2,1H3,(H,13,14,15);3-4H,5H2,1-2H3
InChI Key:
SJMNSCKPQMYJGH-UHFFFAOYSA-N
SMILES:
CN1C=C[NH+](C1)C.CCCCCCCCCCCCS(=O)(=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.245g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.546g/mol
Monoisotopic Mass:
348.245g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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