CAS 114094-51-8 | 4,4'-Bipyridinium, 1-ethyl-1'-octadecyl-, bromide (1:2) | CAS Number 114094-51-8

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114094-51-8 | 4,4'-Bipyridinium, 1-ethyl-1'-octadecyl-, bromide (1:2)

CAS No: 114094-51-8 Catalog No: AG000AJE MDL No:

Product Description

Catalog Number:

AG000AJE

Chemical Name:

4,4'-Bipyridinium, 1-ethyl-1'-octadecyl-, bromide (1:2)

CAS Number:

114094-51-8

Molecular Formula:

C30H50Br2N2

Molecular Weight:

598.5394

IUPAC Name:

1-ethyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide

InChI:

InChI=1S/C30H50N2.2BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-27-22-30(23-28-32)29-20-25-31(4-2)26-21-29;;/h20-23,25-28H,3-19,24H2,1-2H3;2*1H/q+2;;/p-2

InChI Key:

NYCIRFHAHJBBLJ-UHFFFAOYSA-L

SMILES:

CCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CC.[Br-].[Br-]

Properties

Complexity:

394

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

598.232g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

598.552g/mol

Monoisotopic Mass:

596.234g/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