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

C24H38Br2N2CAS 6159-05-3514.39 g/mol

Open in Covalent MOL file
N+N+Br−Br−

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

12 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
  • 1,1'-Diheptyl-4,4'-bipyridinium dibromide

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 1-Butyl-4-methylpyridinium bromide65350-59-661 % similar 1-Butylpyridinium bromide874-80-657 % similar Dodecylpyridinium chloride104-74-553 % similar Cetylpyridinium chloride123-03-553 % similar Tetradecylpyridinium chloride2785-54-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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