Monopotassium 7-aminonaphthalene-1,3-disulfonate

C₁₀H₈KNO₆S₂CAS 842-15-9341.39 g/mol

Open in Covalent MOL file

Primary amine Sulfonic 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 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2

Identifiers

CAS number

842-15-9

SMILES

Nc1ccc2cc(S([O-])(=O)=O)cc(S(=O)(=O)O)c2c1.[K+]

InChIKey

QNHMTLCVDUMUFH-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO6S2.K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);

Weigh it out

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

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

Similar compounds

7-Amino-1,3-naphthalenedisulfonic acid86-65-771 % similar 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 D Acid81-05-048 % similar 7-Amino-1,3,5-naphthalenetrisulfonic acid27310-25-448 % similar

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

Elsewhere

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