Naphthionic acid

C10H9NO3SCAS 84-86-6223.25 g/mol

Open in Covalent MOL file
H2NSOOOH
Primary amineSulfonic acid

Properties

Molecular formula
C10H9NO3S
Molar mass
223.25 g/mol
Exact mass
223.0303 Da
Melting point
240–241 °C
logP
1.67Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 152 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
84-86-6
SMILES
Nc1ccc(S(=O)(=O)O)c2ccccc12
InChIKey
NRZRRZAVMCAKEP-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)

Weigh it out

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

Names and synonyms

10 names
  • 1-Naphthalenesulfonic acid, 4-amino-
  • 4-Amino-1-naphthalenesulfonic acid
  • Piria's acid
  • 1,4-Naphthionic acid
  • α-Naphthylamine-4-sulfonic acid
  • 1-Naphthylamine-4-sulfonic acid
  • 1-Amino-4-naphthalenesulfonic acid
  • 1-Amino-4-sulfonaphthalene
  • NSC 4155
  • 4-Aminonaphthalenesulfonic acid

Work with Naphthionic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium naphthionate130-13-2Salt

Similar compounds

Laurent acid84-89-980 % similar 2-Amino-1,5-naphthalenedisulfonic acid117-62-466 % similar S Acid83-64-762 % similar Armstrong's acid81-04-962 % similar Orthanilic acid88-21-161 % similar 2-Amino-1-naphthol-4-sulfonic acid567-13-561 % similar 1-Naphthol-4-sulfonic acid84-87-761 % similar Naphthalene-1,5-disulfonic acid tetrahydrate211366-30-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Amino-2-naphthalenesulfonic acid119-28-8 5-Amino-2-naphthalenesulfonic acid119-79-9 Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate188614-01-9 Probenazole27605-76-1 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-4 6-Aminonaphthalene-1-sulphonic acid81-05-0 Tobias acid81-16-3 Peri acid82-75-7

Elsewhere

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