chempirical

8-Anilino-1-naphthalenesulfonate magnesium salt

C32H24MgN2O6S2CAS 18108-68-4620.98 g/mol

Open in Covalent MOL file
O−SOONHO−SOOHNMg2+
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

Identifiers

CAS number
18108-68-4
SMILES
[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12.[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12.[Mg+2]
InChIKey
SYSDOWAKFMNQLC-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO3S.Mg/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);

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

Similar compounds

8-Anilinonaphthalene-1-sulfonic acid82-76-860 % similar Ammonium 8-anilinonaphthalene-1-sulfonate28836-03-557 % similar 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

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

Elsewhere

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