8-Amino-4-hydroxynaphthalene-2-sulphonic acid

C₁₀H₉NO₄SCAS 489-78-1239.24 g/mol

Open in Covalent MOL file

Phenol Primary amine Sulfonic acid

Properties

Molecular formula: C₁₀H₉NO₄S
Molar mass: 239.24 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 irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

489-78-1

SMILES

Nc1cccc2c(O)cc(S(=O)(=O)O)cc12

InChIKey

GGZZISOUXJHYOY-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)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

8 names

5-Amino-1-hydroxy-3-naphthalenesulfonic acid
2-Naphthalenesulfonic acid, 8-amino-4-hydroxy-
1-Naphthol-3-sulfonic acid, 5-amino-
8-Amino-4-hydroxy-2-naphthalenesulfonic acid
1-Amino-5-hydroxy-7-sulfonaphthalene
M Acid
NSC 2602
M Acid (sulfonic acid)

Work with 8-Amino-4-hydroxynaphthalene-2-sulphonic 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

2-Amino-5-hydroxynaphthalene-1,7-disulphonic acid6535-70-268 % similar 8-Amino-2-naphthalenesulfonic acid119-28-860 % similar 4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid130-23-458 % similar 1-Naphthol-3,6-disulfonic acid578-85-856 % similar 5-Amino-2-naphthalenesulfonic acid119-79-956 % similar Laurent acid84-89-954 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-354 % similar H Acid90-20-054 % similar

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

Same formula

1-Amino-2-naphthol-4-sulfonic acid116-63-2 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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