N,N-Dimethylanilinium hydrogen sulfate

C₈H₁₃NO₄SCAS 58888-49-6219.25 g/mol

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Properties

Molecular formula: C₈H₁₃NO₄S
Molar mass: 219.25 g/mol
Exact mass: 219.0565 Da
Melting point: 88–89 °C
logP: 1.10Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

58888-49-6

SMILES

CN(C)c1ccccc1.O=S(=O)(O)O

InChIKey

GVDIQFPDYZBNMO-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N.H2O4S/c1-9(2)8-6-4-3-5-7-8;1-5(2,3)4/h3-7H,1-2H3;(H2,1,2,3,4)

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Names and synonyms

4 names

Benzenamine, N,N-dimethyl-, sulfate (1:1)
Aniline, N,N-dimethyl-, sulfate
N,N-Dimethylaniline sulfate (1:1)
N,N-Dimethylanilinium bisulfate

Work with N,N-Dimethylanilinium hydrogen sulfate

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

Dimethyl-p-phenylenediamine sulfate536-47-065 % similar N,N-Dimethyl-P-phenylenediamine sulfate6219-73-465 % similar Dimethylaniline121-69-763 % similar Aniline sulfate542-16-550 % similar Phenylhydrazine sulfate52033-74-647 % similar Malachite green carbinol510-13-444 % similar Wurster'S blue100-22-144 % similar Leucomalachite green129-73-744 % similar

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

Elsewhere

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