chempirical

4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid

C10H9NO7S2CAS 130-23-4319.30 g/mol

Open in Covalent MOL file
NH2SOOOHSOOOHOH
PhenolPrimary amineSulfonic acid

Properties

Molecular formula
C10H9NO7S2
Molar mass
319.30 g/mol
Exact mass
318.9820 Da
logP
0.62Crippen estimate
Polar surface area
155.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2

Identifiers

CAS number
130-23-4
SMILES
Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12
InChIKey
ZUQOBHTUMCEQBG-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO7S2/c11-7-1-2-9(20(16,17)18)6-3-5(19(13,14)15)4-8(12)10(6)7/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)

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

Names and synonyms

9 names
  • 1,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-
  • 1-Naphthol-3,5-disulfonic acid, 8-amino-
  • 4-Amino-5-naphthol-1,7-disulfonic acid
  • 8-Amino-1-naphthol-3,5-disulfonic acid
  • K Acid
  • 1-Amino-8-hydroxynaphthalene-4,6-disulfonic acid
  • 8-Amino-1-hydroxy-3,5-naphthalenedisulfonic acid
  • 1-Amino-8-naphthol-4,6-disulfonic acid
  • NSC 7110

Work with 4-Amino-5-hydroxy-1,7-naphthalenedisulfonic 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

S Acid83-64-766 % similar 5-Amino-1-hydroxy-3-naphthalenesulfonic acid489-78-158 % similar 5,6-Diamino-1,3-naphthalenedisulfonic acid73692-57-655 % similar Aniline-2,4-disulfonic acid137-51-953 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-253 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-152 % similar Chromotropic acid148-25-451 % similar Naphthionic acid84-86-651 % similar

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

Same formula

2-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid6535-70-2 H Acid90-20-0

Elsewhere

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