chempirical

H Acid

C10H9NO7S2CAS 90-20-0319.30 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
90-20-0
SMILES
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12
InChIKey
APRRQJCCBSJQOQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)

Weigh it out

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

Names and synonyms

23 names · show all
  • 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-
  • 1-Naphthol-3,6-disulfonic acid, 8-amino-
  • 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid
  • C.I. 35570
  • 1-Amino-8-hydroxy-3,6-disulfonaphthalene
  • 1-Amino-8-hydroxynaphthalene-3,6-disulfonic acid
  • 5-Amino-4-naphthol-2,7-disulfonic acid
  • 8-Amino-1-naphthol-3,6-disulfonic acid
  • 1-Amino-8-naphthyl-3,6-disulfonic acid
  • 8-Amino-1-hydroxy-3,6-naphthalenedisulfonic acid
  • 1-Hydroxy-8-amino-3,6-naphthalenedisulfonic acid
  • 1-Naphthol-8-amino-3,6-disulfonic acid
  • 3,6-Disulfo-8-hydroxy-1-naphthylamine
  • 1-Hydroxy-8-amino-3,6-disulfonaphthalene
  • 1-Amino-8-naphthol-3,6-disulfonic acid
  • 5-Amino-4-hydroxy-2,7-naphthalenedisulfonic acid
  • 3,6-Disulfo-1-amino-8-naphthol
  • 1-Amino-3,6-disulfo-8-naphthol
  • Sulfonphthol
  • NSC 190492
  • 1-Hydroxy-3,6-disulfo-8-aminonaphthalene
  • 8-Hydroxy-3,6-disulfo-1-naphthylamine
  • 1-Amino-8-hydroxynaphthalene-3,6-disulphonic acid

Work with H 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

4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt5460-09-377 % similar Chromotropic acid148-25-474 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-358 % similar 8-Amino-1,6-naphthalenedisulfonic acid129-91-957 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-155 % similar 5-Amino-1-hydroxy-3-naphthalenesulfonic acid489-78-154 % similar 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-554 % similar Gamma acid90-51-754 % similar

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

Same formula

4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid130-23-4 2-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid6535-70-2

Elsewhere

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