8-Anilino-1-naphthalenesulfonate magnesium salt

C32H24MgN2O6S2CAS 18108-68-4620.98 g/mol

Open in Covalent MOL file
O−SOONHO−SOONHMg2+
Secondary amineSulfonic acid

Properties

Molecular formula
C32H24MgN2O6S2
Molar mass
620.98 g/mol
Exact mass
620.0926 Da
logP
3.45Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
18108-68-4
SMILES
[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12.[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12.[Mg+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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

Names and synonyms

8 names
  • 1-Naphthalenesulfonic acid, 8-(phenylamino)-, magnesium salt (2:1)
  • ANS hemi-Mg salt
  • 1-Naphthalenesulfonic acid, 8-anilino-, magnesium salt (2:1)
  • Magnesium 1-anilino-8-naphthalenesulfonate
  • Magnesium 8-anilino-1-naphthalenesulfonate
  • 1-Anilino-8-naphthalenesulfonic acid magnesium salt
  • 8-Anilinonaphthalene-1-sulfonic acid magnesium salt
  • 1-Anilino-8-naphthalenesulfonate magnesium salt

Work with 8-Anilino-1-naphthalenesulfonate magnesium salt

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.

8-Anilinonaphthalene-1-sulfonic acid82-76-8Free acid Ammonium 8-anilinonaphthalene-1-sulfonate28836-03-5Salt

Similar compounds

Acid blue 1133351-05-148 % similar Sodium 1-naphthalenesulfonate130-14-344 % similar Sodium diphenylamine-4-sulfonate6152-67-643 % similar Barium diphenylamine-4-sulfonate6211-24-142 % similar N-Phenylnaphthalen-1-amine90-30-241 % similar Acid blue 256408-78-240 % similar Disodium 1,5-naphthalenedisulfonate1655-29-438 % similar Acid orange 5554-73-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook