3,4-Diaminobenzenesulfonic acid

C₆H₈N₂O₃SCAS 7474-78-4188.20 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 300 °C
logP: 0.10Crippen estimate
Polar surface area: 106.4 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Identifiers

CAS number

7474-78-4

SMILES

Nc1ccc(S(=O)(=O)O)cc1N

InChIKey

FKSRSWQTEJTBMI-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O3S/c7-5-2-1-4(3-6(5)8)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

3 names

Benzenesulfonic acid, 3,4-diamino-
NSC 401086
4-Amino-3-ammoniobenzenesulfonate

Work with 3,4-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

Aniline-2,4-disulfonic acid137-51-972 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-272 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-370 % similar 3-Amino-4-methylbenzenesulfonic acid618-03-168 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-968 % similar 3-Amino-4-chlorobenzenesulfonic acid98-36-268 % similar 2-Aminoanisole-4-sulfonic acid98-42-064 % similar 2-Amino-4-sulfobenzoic acid98-43-162 % similar

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

Same formula

2,5-Diaminobenzenesulfonic acid88-45-9 2,4-Diaminobenzenesulfonic acid88-63-1 2-Aminophenol-4-sulfonamide98-32-8 4-Hydrazinobenzenesulfonic acid98-71-5

Elsewhere

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