chempirical

p-Anilinobenzenediazonium hydrogen sulfate

C12H11N3O4SCAS 4477-28-5293.30 g/mol

Open in Covalent MOL file
NN+NHOSOO−OH
Secondary amine

Properties

Molecular formula
C12H11N3O4S
Molar mass
293.30 g/mol
Exact mass
293.0470 Da
logP
2.92Crippen estimate
Polar surface area
117.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
4477-28-5
SMILES
N#[N+]c1ccc(Nc2ccccc2)cc1.O=S(=O)([O-])O
InChIKey
FMRQRWPEQSPSDG-UHFFFAOYSA-M
InChI
InChI=1S/C12H10N3.H2O4S/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-5(2,3)4/h1-9,14H;(H2,1,2,3,4)/q+1;/p-1

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Names and synonyms

8 names
  • Benzenediazonium, 4-(phenylamino)-, sulfate (1:1)
  • Benzenediazonium, p-anilino-, sulfate (1:1)
  • 4-Diazodiphenylamine bisulfate
  • 4-Diazodiphenylamine hydrogen sulfate
  • Diphenylamine-4-diazonium sulfate
  • p-(Phenylamino)benzenediazonium hydrogen sulfate
  • 4-Anilinobenzenediazonium hydrogen sulfate
  • 4-Diazodiphenylamine sulfate

Work with p-Anilinobenzenediazonium 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

Sodium diphenylamine-4-sulfonate6152-67-643 % similar 1,4-Benzenediamine, N1-phenyl-, sulfate (2:1)4698-29-742 % similar Barium diphenylamine-4-sulfonate6211-24-142 % similar N,N′-Diphenyl-P-phenylenediamine74-31-739 % similar Acid orange 5554-73-438 % similar 8-Anilinonaphthalene-1-sulfonic acid82-76-838 % similar 4-Hydroxydiphenylamine122-37-237 % similar Diphenylamine122-39-436 % similar

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

Elsewhere

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