2,5-Diamino-1,3-benzenedisulfonic acid

C₆H₈N₂O₆S₂CAS 6409-48-9268.26 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₈N₂O₆S₂
Molar mass: 268.26 g/mol
Exact mass: 267.9824 Da
logP: -0.66Crippen estimate
Polar surface area: 160.8 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6409-48-9

SMILES

C1=C(C=C(C(=C1S(=O)(=O)O)N)S(=O)(=O)O)N

InChIKey

QGNJPFLIBOTDKU-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O6S2/c7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)

Weigh it out

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

Names and synonyms

1 names

2,5-Diaminobenzene-1,3-disulfonic acid

Work with 2,5-Diamino-1,3-benzenedisulfonic 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 acid117-61-360 % similar 7-Amino-1,3,5-naphthalenetrisulfonic acid27310-25-459 % similar 2,5-Diaminobenzenesulfonic acid88-45-958 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-156 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-755 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-855 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-755 % similar 2,4-Diaminobenzenesulfonic acid88-63-153 % similar

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

Same formula

4,6-Diamino-1,3-benzenedisulfonic acid137-50-8

Elsewhere

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