1,1′-Diheptyl-4,4′-bipyridinium dibromide

C₂₄H₃₈Br₂N₂CAS 6159-05-3514.39 g/mol

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Properties

Molecular formula: C₂₄H₃₈Br₂N₂
Molar mass: 514.39 g/mol
Exact mass: 512.1402 Da
logP: -0.12Crippen estimate
Polar surface area: 7.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 13

Identifiers

CAS number

6159-05-3

SMILES

CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1.[Br-].[Br-]

InChIKey

VRXAJMCFEOESJO-UHFFFAOYSA-L

InChI

InChI=1S/C24H38N2.2BrH/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;;/h13-16,19-22H,3-12,17-18H2,1-2H3;2*1H/q+2;;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

4,4′-Bipyridinium, 1,1′-diheptyl-, bromide (1:2)
4,4′-Bipyridinium, 1,1′-diheptyl-, dibromide
Heptylviologen bromide
N,N′-Diheptyl-4,4′-dipyridinium dibromide
Diheptylviologen bromide
Heptylviologen dibromide
N,N′-Diheptyl-4,4′-dipyridylium dibromide
N,N′-Diheptyl-4,4′-bipyridinium dibromide
1,1′-Di-N-heptyl-4,4′-dipyridinium dibromide
Diheptylviologen dibromide
DHPB

Work with 1,1′-Diheptyl-4,4′-bipyridinium dibromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dodecylpyridinium bromide104-73-469 % similar Cetylpyridinium bromide140-72-769 % similar Octylpyridinium bromide2534-66-969 % similar Cetylpyridinium chloride123-03-553 % similar Tetradecylpyridinium chloride2785-54-853 % similar Cetylpyridinium chloride monohydrate6004-24-649 % similar 4-Hexyl-1,1′-biphenyl59662-31-641 % similar Heptyltriphenylphosphonium bromide13423-48-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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