chempirical

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

C6H6NNaO6S2CAS 24605-36-5275.22 g/mol

Open in Covalent MOL file
NH2SO−OOSOOHONa+
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

Identifiers

CAS number
24605-36-5
SMILES
Nc1cc(S([O-])(=O)=O)ccc1S(=O)(=O)O.[Na+]
InChIKey
BAHMPEMONSMYRQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO6S2.Na/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);

Weigh it out

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

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

Similar compounds

2-Amino-1,4-benzenedisulfonic acid98-44-269 % similar 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

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

Elsewhere

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