Monopotassium 7-aminonaphthalene-1,3-disulfonate

C10H8KNO6S2CAS 842-15-9341.39 g/mol

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H2NSO−OOSOOHOK+
Primary amineSulfonic acid

Properties

Molecular formula
C10H8KNO6S2
Molar mass
341.39 g/mol
Exact mass
340.9430 Da
logP
0.53Crippen 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
842-15-9
SMILES
Nc1ccc2cc(S([O-])(=O)=O)cc(S(=O)(=O)O)c2c1.[K+]
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

4 names
  • 1,3-Naphthalenedisulfonic acid, 7-amino-, potassium salt (1:1)
  • 1,3-Naphthalenedisulfonic acid, 7-amino-, monopotassium salt
  • 2-Aminonaphthalene-6,8-disulfonic acid monopotassium salt
  • ANDSAP

Work with Monopotassium 7-aminonaphthalene-1,3-disulfonate

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.

7-Amino-1,3-naphthalenedisulfonic acid86-65-7Free acid

Similar compounds

6-Amino-1,3-naphthalenedisulfonic acid118-33-257 % similar 2-Naphthol-6,8-disulfonic acid dipotassium salt842-18-256 % similar Gamma acid90-51-752 % similar ANTS5398-34-552 % similar 6-Amino-2-naphthalenesulfonic acid93-00-549 % similar 6-Aminonaphthalene-1-sulphonic acid81-05-048 % similar 7-Amino-1,3,5-naphthalenetrisulfonic acid27310-25-448 % similar 2-Aminobenzene-1,4-sulfonic acid monosodium salt24605-36-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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