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

C₁₀H₉NO₄SCAS 116-63-2239.25 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

Warning

H315 Causes skin irritation76.9% of notifiers
H319 Causes serious eye irritation76.9% of notifiers
H335 May cause respiratory irritation61.5% of notifiers
H412 Harmful to aquatic life with long lasting effects15.4% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

116-63-2

SMILES

Nc1c(O)cc(S(=O)(=O)O)c2ccccc12

InChIKey

RXCMFQDTWCCLBL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

13 names · show all

1-Naphthalenesulfonic acid, 4-amino-3-hydroxy-
2-Naphthol-4-sulfonic acid, 1-amino-
4-Amino-3-hydroxy-1-naphthalenesulfonic acid
4-Amino-3-naphthol-1-sulfonic acid
1-Amino-2-hydroxy-4-sulfonaphthalene
1-Amino-2-hydroxy-4-naphthalenesulfonic acid
1-Amino-4-sulfo-2-naphthol
2-Hydroxy-4-sulfo-1-naphthylamine
1,2,4-Acid
1-Amino-2-naphthol-4-sulfonate
3-Hydroxy-4-amino-1-naphthalenesulfonic acid
NSC 25061
NSC 4986

Reactions

1-AMINO-2-NAPHTHOL-4-SULFONIC ACID (2-Naphthol-4-sulfonic acid, 1-amino-)product

Work with 1-Amino-2-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

1-Naphthol-4-sulfonic acid84-87-758 % similar L Acid117-59-954 % similar Naphthionic acid84-86-653 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-153 % similar 8-Amino-1-naphthol-5,7-disulfonic acid monosodium salt52789-62-552 % similar Armstrong's acid81-04-950 % similar 2-Nitroso-1-naphthol-4-sulfonic acid3682-32-449 % similar 5,6-Diaminonaphthalene-1,3-disulfonic acid73692-57-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Amino-4-hydroxynaphthalene-2-sulphonic acid489-78-1 2-Amino-1-naphthol-4-sulfonic acid567-13-5 S Acid83-64-7 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-5 Gamma acid90-51-7

Elsewhere

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