6-aminonaphthalene-2-sulfonic acid

• ChemBase ID: 109649
• Molecular Formular: C10H9NO3S
• Molecular Mass: 223.24836
• Monoisotopic Mass: 223.03031415
• SMILES: Nc1ccc2cc(ccc2c1)S(=O)(=O)O
• Canonical SMILES: Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O
• InChI: InChI=1S/C10H9NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H,11H2,(H,12,13,14)
• InChIKey: SEMRCUIXRUXGJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminonaphthalene-2-sulfonic acid
• IUPAC Traditional name: broenner's acid; bronner acid
• Synonyms: 6-AMINO-2-NAPHTHALENESULFONIC ACID; 6-Aminonaphthalene-2-sulfonic acid

Database IDs

• CAS Number: 93-00-5
• MDL Number: MFCD00035736
• PubChem SID: 162095252
• PubChem CID: 7116

CALCULATED PROPERTIES

• Acid pKa: -1.8874435
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.4645192
• LogD (pH = 7.4): -1.0455041
• Log P: 1.0921708
• Molar Refractivity: 57.8311 cm^3
• Polarizability: 23.535868 Å^3
• Polar Surface Area: 80.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%

DETAILS

MP Biomedicals - 05212042

MP Biomedicals Rare Chemical collection