chempirical

Aniline sulfate

C6H9NO4SCAS 542-16-5191.20 g/mol

Open in Covalent MOL file
H2NOSOHOOH
Primary amine

Properties

Molecular formula
C6H9NO4S
Molar mass
191.20 g/mol
Exact mass
191.0252 Da
logP
0.62Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
542-16-5
SMILES
Nc1ccccc1.O=S(=O)(O)O
InChIKey
NTOLGSSKLPLTDW-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

3 names
  • Benzenamine, sulfate (2:1)
  • Aniline, sulfate (2:1)
  • Dianilinium sulfate

Work with Aniline 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

Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-577 % similar 1,3-Phenylenediamine sulfate541-70-872 % similar 1,4-Benzenediamine, N1-phenyl-, sulfate (2:1)4698-29-769 % similar p-Aminophenol sulfate63084-98-063 % similar 4,4′-Diaminodiphenylamine sulfate53760-27-361 % similar Polyaniline25233-30-157 % similar Phenylhydrazine sulfate52033-74-657 % similar Aniline62-53-357 % similar

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

Elsewhere

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