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130099-96-6 | Pyridinium, 1,1'-(1,8-octanediyl)bis[3,5-dimethyl-, diiodide (9CI)
CAS No: 130099-96-6 Catalog No: AG000TZK MDL No:
Product Description
Catalog Number:
AG000TZK
Chemical Name:
Pyridinium, 1,1'-(1,8-octanediyl)bis[3,5-dimethyl-, diiodide (9CI)
CAS Number:
130099-96-6
Molecular Formula:
C22H34I2N2
Molecular Weight:
580.3277
IUPAC Name:
1-[8-(3,5-dimethylpyridin-1-ium-1-yl)octyl]-3,5-dimethylpyridin-1-ium;diiodide
InChI:
InChI=1S/C22H34N2.2HI/c1-19-13-20(2)16-23(15-19)11-9-7-5-6-8-10-12-24-17-21(3)14-22(4)18-24;;/h13-18H,5-12H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
UAZLFUQCRMSLAG-UHFFFAOYSA-L
SMILES:
Cc1cc(C)c[n+](c1)CCCCCCCC[n+]1cc(C)cc(c1)C.[I-].[I-]
Properties
Complexity:
278
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:
9
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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