chempirical

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

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

Similar compounds

2-Amino-1,5-naphthalenedisulfonic acid117-62-466 % similar S Acid83-64-762 % similar Armstrong'S acid81-04-962 % similar 2-Amino-1-naphthol-4-sulfonic acid567-13-561 % similar 1-Naphthol-4-sulfonic acid84-87-761 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-256 % similar Sodium naphthionate130-13-256 % similar Naphthalene-1-sulfonic acid85-47-255 % 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 Probenazole27605-76-1 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-4 D Acid81-05-0 Tobias acid81-16-3 Peri acid82-75-7 Laurent acid84-89-9

Elsewhere

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