CAS 90449-43-7 | 4,4'-Bipyridinium, 1,1'-didecyl-, diiodide | CAS Number 90449-43-7

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90449-43-7 | 4,4'-Bipyridinium, 1,1'-didecyl-, diiodide

CAS No: 90449-43-7 Catalog No: AG006Q3O MDL No:

Product Description

Catalog Number:

AG006Q3O

Chemical Name:

4,4'-Bipyridinium, 1,1'-didecyl-, diiodide

CAS Number:

90449-43-7

Molecular Formula:

C30H50I2N2

Molecular Weight:

692.5403

IUPAC Name:

1-decyl-4-(1-decylpyridin-1-ium-4-yl)pyridin-1-ium;diiodide

InChI:

InChI=1S/C30H50N2.2HI/c1-3-5-7-9-11-13-15-17-23-31-25-19-29(20-26-31)30-21-27-32(28-22-30)24-18-16-14-12-10-8-6-4-2;;/h19-22,25-28H,3-18,23-24H2,1-2H3;2*1H/q+2;;/p-2

InChI Key:

GRCLKROLHSEZKC-UHFFFAOYSA-L

SMILES:

CCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCCCCC.[I-].[I-]

Properties

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

692.206g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

692.553g/mol

Monoisotopic Mass:

692.206g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

7.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
The antibacterial activity of 4,4'-bipyridinium amphiphiles with conventional, bicephalic and gemini architectures.	Bioorganic & medicinal chemistry letters 20120615