magnesium(2+) ion bis(8-(phenylamino)naphthalene-1-sulfonate)

• ChemBase ID: 102225
• Molecular Formular: C32H24MgN2O6S2
• Molecular Mass: 620.97776
• Monoisotopic Mass: 620.0926202
• SMILES: [Mg+2].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12.[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
• Canonical SMILES: [O-]S(=O)(=O)c1cccc2c1c(ccc2)Nc1ccccc1.[O-]S(=O)(=O)c1cccc2c1c(ccc2)Nc1ccccc1.[Mg+2]
• InChI: InChI=1S/2C16H13NO3S.Mg/c2*18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h2*1-11,17H,(H,18,19,20);/q;;+2/p-2
• InChIKey: IRKGXNAZPUOEMW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion bis(8-(phenylamino)naphthalene-1-sulfonate)
• IUPAC Traditional name: magnesium(2+) bis(8-(phenylamino)naphthalene-1-sulfonate)
• Synonyms: 8-ANILINO-1-NAPHTHALENESULFONIC ACID MAGNESIUM SALT; Magnesium 8-(phenylamino) naphthalene-1-sulphonate; 8-(Phenylamino)-1-naphthalenesulfonic acid; 1,8-ANS magnesium salt; ANSA magnesium salt; 8-ANILINO-1-NAPHTHALENE SULFONIC ACID HEMIMAGNESIUM SALT

Database IDs

• CAS Number: 18108-68-4
• EC Number: 242-004-7
• PubChem SID: 162090527
• PubChem CID: 87458

CALCULATED PROPERTIES

• Acid pKa: -2.0288842
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2071737
• LogD (pH = 7.4): 1.2071565
• Log P: 2.1060174
• Molar Refractivity: 80.4952 cm^3
• Polarizability: 33.049885 Å^3
• Polar Surface Area: 69.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 05201342

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100676

Hemimagnesium Salt
Fluorescent probe for undenatured proteins on polyacrylamide gels.