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72324-15-3 | 1,1'-DIHEXYL-4,4'-BIPYRIDINIUM DIIODIDE
CAS No: 72324-15-3 Catalog No: AG005U9K MDL No:
Product Description
Catalog Number:
AG005U9K
Chemical Name:
1,1'-DIHEXYL-4,4'-BIPYRIDINIUM DIIODIDE
CAS Number:
72324-15-3
Molecular Formula:
C22H34I2N2
Molecular Weight:
580.3277
IUPAC Name:
1-hexyl-4-(1-hexylpyridin-1-ium-4-yl)pyridin-1-ium;diiodide
InChI:
InChI=1S/C22H34N2.2HI/c1-3-5-7-9-15-23-17-11-21(12-18-23)22-13-19-24(20-14-22)16-10-8-6-4-2;;/h11-14,17-20H,3-10,15-16H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
SWDIVDODDINILB-UHFFFAOYSA-L
SMILES:
CCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCC.[I-].[I-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.081g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
580.337g/mol
Monoisotopic Mass:
580.081g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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