2-Aminobenzene-1,4-sulfonic acid monosodium salt

C6H6NNaO6S2CAS 24605-36-5275.22 g/mol

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NH2SO−OOSOOOHNa+
Primary amineSulfonic acid

Properties

Molecular formula
C6H6NNaO6S2
Molar mass
275.22 g/mol
Exact mass
274.9534 Da
logP
-0.62Crippen estimate
Polar surface area
134.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
24605-36-5
SMILES
Nc1cc(S([O-])(=O)=O)ccc1S(=O)(=O)O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

7 names
  • 1,4-Benzenedisulfonic acid, 2-amino-, sodium salt (1:1)
  • p-Benzenedisulfonic acid, 2-amino-, monosodium salt
  • 1,4-Benzenedisulfonic acid, 2-amino-, monosodium salt
  • 2-Aminobenzene-1,4-disulfonic acid monosodium salt
  • Monosodium aniline-2,5-disulfonate
  • 2,5-Disulfoaniline monosodium salt
  • Aniline-2,5-disulfonic acid monosodium salt

Work with 2-Aminobenzene-1,4-sulfonic acid monosodium salt

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Amino-1,4-benzenedisulfonic acid98-44-2Free acid

Similar compounds

ANTS5398-34-564 % similar 2,4-Diaminobenzenesulfonic acid88-63-155 % similar Sodium 2,4-diaminobenzenesulfonate3177-22-854 % similar 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt5460-09-353 % similar Aniline-2,4-disulfonic acid137-51-951 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-850 % similar 3,4-Diaminobenzenesulfonic acid7474-78-450 % similar Sodium 2-nitroaniline-4-sulfonate5042-33-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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