chempirical

Sodium naphthionate

C10H8NNaO3SCAS 130-13-2245.23 g/mol

Open in Covalent MOL file
H2NSO−OONa+
Primary amineSulfonic acid

Properties

Molecular formula
C10H8NNaO3S
Molar mass
245.23 g/mol
Exact mass
245.0123 Da
logP
1.29Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
130-13-2
SMILES
Nc1ccc(S([O-])(=O)=O)c2ccccc12.[Na+]
InChIKey
YVIYCJBOJWNEDS-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3S.Na/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

12 names
  • 1-Naphthalenesulfonic acid, 4-amino-, sodium salt (1:1)
  • 1-Naphthalenesulfonic acid, 4-amino-, monosodium salt
  • Naphthionic acid, sodium salt
  • Naphthemol
  • Naphthionine
  • α-Naphthylamine-p-sulfonic acid monosodium salt
  • Sodium 1-naphthylamine-4-sulfonate
  • Sodium α-naphthylamine-4-sulfonate
  • 4-Amino-1-naphthalenesulfonic acid sodium salt
  • Sodium 1-aminonaphthalene-4-sulfonate
  • Sodium 4-amino-1-naphthalenesulfonate
  • 1-Naphthylamine-4-sulfonic acid sodium salt

Work with Sodium naphthionate

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

Disodium 1,5-naphthalenedisulfonate1655-29-465 % similar Sodium 1-naphthol-4-sulfonate6099-57-661 % similar 2-Amino-1,5-naphthalenedisulfonic acid sodium salt19532-03-760 % similar Sodium 1-naphthalenesulfonate130-14-357 % similar Sodium 2,4-diaminobenzenesulfonate3177-22-856 % similar Naphthionic acid84-86-656 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-253 % similar Azorubine3567-69-948 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook