N,N-Dimethylanilinium hydrogen sulfate

C8H13NO4SCAS 58888-49-6219.25 g/mol

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NOSOOHHO
Tertiary amine

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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

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
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

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.

Dimethylaniline121-69-7Free base Dimethylanilinium tetrakis(pentafluorophenyl)borate118612-00-3Salt

Similar compounds

N,N-Dimethyl-p-phenylenediamine sulfate536-47-065 % similar N,N-Dimethyl-p-phenylenediamine sulfate6219-73-465 % similar Aniline sulfate542-16-550 % similar Phenylhydrazine sulfate52033-74-647 % similar 1,2-Phenylenediamine sulfate74710-09-147 % similar Malachite green carbinol510-13-444 % similar p-Dimethylaminobenzophenone530-44-944 % similar Wurster's blue100-22-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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