chempirical

2,5-Diaminobenzenesulfonic acid

C6H8N2O3SCAS 88-45-9188.20 g/mol

Open in Covalent MOL file
H2NNH2SOOOH
Primary amineSulfonic acid

Properties

Molecular formula
C6H8N2O3S
Molar mass
188.20 g/mol
Exact mass
188.0256 Da
Melting point
above 309 °C
logP
0.10Crippen estimate
Polar surface area
106.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
88-45-9
SMILES
Nc1ccc(N)c(S(=O)(=O)O)c1
InChIKey
HEAHMJLHQCESBZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)

Weigh it out

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

Names and synonyms

11 names
  • Benzenesulfonic acid, 2,5-diamino-
  • p-Phenylenediaminesulfonic acid
  • p-Phenylenediamine-2-sulfonic acid
  • 1,4-Diaminobenzene-2-sulfonic acid
  • 1,4-Phenylenediamine-2-sulfonic acid
  • 1,4-Diamino-2-benzenesulfonic acid
  • 1,4-Phenylenediamine-3-sulfonic acid
  • 2,5-Diaminophenyl-1-sulfonic acid
  • 2-Sulfo-1,4-phenylenediamine
  • 2,5-Diaminobenzene-1-sulfonic acid
  • 1,4-Diaminobenzene-3-sulfonic acid

Work with 2,5-Diaminobenzenesulfonic acid

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

2,2′-Benzidinedisulfonic acid117-61-370 % similar Aniline-2,4-disulfonic acid137-51-968 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-764 % similar 2-Amino-5-chlorobenzenesulfonic acid133-74-464 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-864 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-764 % similar 2-Amino-5-methylbenzenesulfonic acid88-44-864 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-363 % similar

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

Same formula

3,4-Diaminobenzenesulfonic acid7474-78-4 2,4-Diaminobenzenesulfonic acid88-63-1 2-Aminophenol-4-sulfonamide98-32-8 4-Hydrazinobenzenesulfonic acid98-71-5

Elsewhere

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