2,4-Diaminobenzenesulfonic acid

C₆H₈N₂O₃SCAS 88-63-1188.20 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₈N₂O₃S
Molar mass: 188.20 g/mol
Exact mass: 188.0256 Da
Melting point: above 294 °C
logP: 0.10Crippen estimate
Polar surface area: 106.4 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Identifiers

CAS number

88-63-1

SMILES

Nc1ccc(S(=O)(=O)O)c(N)c1

InChIKey

JVMSQRAXNZPDHF-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)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

12 names

Benzenesulfonic acid, 2,4-diamino-
o-Aminosulfanilic acid
1,3-Diaminobenzene-6-sulfonic acid
m-Phenylenediamine-4-sulfonic acid
1,3-Diaminobenzene-4-sulfonic acid
1,3-Phenylenediamine-4-sulfonic acid
4-Sulfo-1,3-diaminobenzene
Metaphenylenediamine-4-sulfonic acid
NSC 7835
2,4-Diamino-1-benzenesulfonic acid
ABSA
1-Sulfo-2,4-phenylenediamine

Work with 2,4-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-Amino-1,4-benzenedisulfonic acid98-44-268 % similar 2,2′-Benzidinedisulfonic acid117-61-365 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-862 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-759 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-859 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-759 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-358 % similar Orthanilic acid88-21-158 % similar

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

Same formula

3,4-Diaminobenzenesulfonic acid7474-78-4 2,5-Diaminobenzenesulfonic acid88-45-9 2-Aminophenol-4-sulfonamide98-32-8 4-Hydrazinobenzenesulfonic acid98-71-5

Elsewhere

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