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Home > Imidazoles > 401789-02-4
401789-02-4 | 1H-Imidazolium, 1-hexyl-3-methyl-, benzenesulfonate
CAS No: 401789-02-4 Catalog No: AG00750R MDL No:
Product Description
Catalog Number:
AG00750R
Chemical Name:
1H-Imidazolium, 1-hexyl-3-methyl-, benzenesulfonate
CAS Number:
401789-02-4
Molecular Formula:
C16H26N2O3S
Molecular Weight:
326.4542
IUPAC Name:
benzenesulfonate;1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C10H20N2.C6H6O3S/c1-3-4-5-6-7-12-9-8-11(2)10-12;7-10(8,9)6-4-2-1-3-5-6/h8-9H,3-7,10H2,1-2H3;1-5H,(H,7,8,9)
InChI Key:
YSSKRSLRZGOVRY-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)c1ccccc1.CCCCCC[NH+]1C=CN(C1)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.166g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.455g/mol
Monoisotopic Mass:
326.166g/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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