2-Amino-1-naphthol-4-sulfonic acid

C₁₀H₉NO₄SCAS 567-13-5239.25 g/mol

Open in Covalent MOL file

Phenol Primary amine Sulfonic acid

Properties

Molecular formula: C₁₀H₉NO₄S
Molar mass: 239.25 g/mol
Exact mass: 239.0252 Da
logP: 1.37Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

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

567-13-5

SMILES

Nc1cc(S(=O)(=O)O)c2ccccc2c1O

InChIKey

YFGOOWJUPKTAPF-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO4S/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12/h1-5,12H,11H2,(H,13,14,15)

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

Names and synonyms

5 names

1-Naphthalenesulfonic acid, 3-amino-4-hydroxy-
3-Amino-4-hydroxy-1-naphthalenesulfonic acid
2-Amino-1-hydroxy-4-naphthalenesulfonic ad
3-Amino-4-hydroxy-1-naphthalenesulphonic acid
3-Amino-4-hydroxynaphthalene-1-sulphonic acid

Work with 2-Amino-1-naphthol-4-sulfonic 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

Naphthionic acid84-86-661 % similar 2-Nitroso-1-naphthol-4-sulfonic acid3682-32-460 % similar Laurent acid84-89-957 % similar 2-Aminophenol-4,6-disulfonic acid120-98-955 % similar Orthanilic acid88-21-154 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-153 % similar 3-Amino-5-chloro-2-hydroxybenzenesulfonic acid88-23-353 % similar 2-Amino-1,5-naphthalenedisulfonic acid117-62-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Amino-2-naphthol-4-sulfonic acid116-63-2 8-Amino-4-hydroxynaphthalene-2-sulphonic acid489-78-1 S Acid83-64-7 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-5 Gamma acid90-51-7

Elsewhere

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