1,1′-Dibenzyl-4,4′-bipyridinium dichloride

C₂₄H₂₂Cl₂N₂CAS 1102-19-8409.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₂₂Cl₂N₂
Molar mass: 409.35 g/mol
Exact mass: 408.1160 Da
Melting point: 238 °C (decomposes)
logP: -1.97Crippen estimate
Polar surface area: 7.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1102-19-8

SMILES

[Cl-].[Cl-].c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1

InChIKey

NLOIIDFMYPFJKP-UHFFFAOYSA-L

InChI

InChI=1S/C24H22N2.2ClH/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;;/h1-18H,19-20H2;2*1H/q+2;;/p-2

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

Names and synonyms

10 names

4,4′-Bipyridinium, 1,1′-bis(phenylmethyl)-, chloride (1:2)
4,4′-Bipyridinium, 1,1′-dibenzyl-, dichloride
4,4′-Bipyridinium, 1,1′-bis(phenylmethyl)-, dichloride
1,1′-Dibenzyl-4,4′-dipyridinium dichloride
Benzylviologen chloride
N,N′-Dibenzyl-4,4′-dipyridinium dichloride
Benzylviologen dichloride
N,N′-Dibenzyl-4,4′-bipyridinium dichloride
Dibenzylviologen dichloride
4,4'-Bipyridinium, 1,1'-dibenzyl-, dichloride

Work with 1,1′-Dibenzyl-4,4′-bipyridinium dichloride

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

Paraquat1910-42-538 % similar P-Benzylbiphenyl613-42-338 % similar Benzyltriphenylphosphonium chloride1100-88-538 % similar 1-Benzyl-3-carboxypyridinium hydroxide inner salt15990-43-938 % similar Benzyltrimethylammonium chloride56-93-938 % similar Benzyltripropylammonium chloride5197-87-537 % similar 4-Phenylpyridine 1-oxide1131-61-937 % similar Bibenzyl103-29-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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