1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)

C13H17N2O4S+CAS 2074-50-2297.35 g/mol

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Properties

Molecular formula
C13H17N2O4S+
Molar mass
297.35 g/mol
Exact mass
297.0909 Da
logP
0.10Crippen estimate
Polar surface area
74.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2074-50-2
SMILES
COS(=O)(=O)[O-].C[n+]1ccc(-c2cc[n+](C)cc2)cc1
InChIKey
UBXNVIKIDJFZPV-UHFFFAOYSA-M
InChI
InChI=1S/C12H14N2.CH4O4S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;1-5-6(2,3)4/h3-10H,1-2H3;1H3,(H,2,3,4)/q+2;/p-1

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Names and synonyms

17 names · show all
  • 4,4′-Bipyridinium, 1,1′-dimethyl-, methyl sulfate (1:2)
  • 4,4′-Bipyridinium, 1,1′-dimethyl-, bis(methyl sulfate)
  • 1,1′-Dimethyl-4,4′-bipyridinium bis(methyl sulfate)
  • PP 910
  • 1,1′-Dimethyl-4,4′-bipyridylium dimethylsulfate
  • 1,1′-Dimethyl-4,4′-dipyridinium dimethosulfate
  • 1,1′-Dimethyl-4,4′-dipyridinium di(methyl sulfate)
  • Gramoxone methyl sulfate
  • Paraquat bis(methyl sulfate)
  • Paraquat dimethyl sulphate
  • Paraquat methosulfate
  • Paraquat dimethosulfate
  • Paraquat methyl sulfate
  • Paraquat I
  • 1,1′-Dimethyl-4,4′-bipyridinium dimethosulfate
  • N,N′-Dimethyl-4,4′-bipyridinium methosulfate
  • OK 621

Work with 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Paraquat1910-42-5Salt Basic blue 4112270-13-2Salt Proserine51-60-5Salt Basic yellow 2854060-92-3Salt Diphemanil methyl sulfate62-97-5Salt Phenazine methosulfate299-11-6Salt Behentrimonium methosulfate81646-13-1Salt 1-Methoxyphenazine methosulfate65162-13-2Salt Amezinium metilsulfate30578-37-1Salt Potassium monomethylsulfate562-54-9Salt Sodium methyl sulfate512-42-5Salt Tiemonium methosulfate6504-57-0Salt

Similar compounds

4-Formyl-1-methylpyridinium benzenesulphonate82228-89-535 % similar 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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