2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid

• ChemBase ID: 105612
• Molecular Formular: C20H12N2O4
• Molecular Mass: 344.32028
• Monoisotopic Mass: 344.07970687
• SMILES: OC(=O)c1cc(nc2c1cccc2)c1nc2c(cccc2)c(c1)C(=O)O
• Canonical SMILES: OC(=O)c1cc(nc2c1cccc2)c1nc2ccccc2c(c1)C(=O)O
• InChI: InChI=1S/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26)
• InChIKey: AFYNADDZULBEJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid
• IUPAC Traditional name: bicinchoninic acid
• Synonyms: [2,2'-biquinoline]-4,4'-dicarboxylic acid; Bicinchoninic acid, 4,4'-dicarboxy-2,2'-biquinoline; 2,2'-BICINCHONINIC ACID FREE ACID; Bicinchoninic acid; 4,4'-Dicarboxy-2,2'-Biquinoline; Bicinchoninic acid; 2,2′-Bicinchoninic acid; 2,2′-Biquinoline-4,4′-dicarboxylic acid; 2,2′-二辛可宁酸; 2,2′-联喹啉-4,4′-二羧酸

Database IDs

• CAS Number: 1245-13-2
• EC Number: 214-990-9
• MDL Number: MFCD00068342
• Beilstein Number: 321561
• PubChem SID: 162092388; 24848580
• PubChem CID: 71068
• CHEMBL: 431482
• Chemspider ID: 64223
• Wikipedia Title: Bicinchoninic_acid

CALCULATED PROPERTIES

• Acid pKa: 3.2556043
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.14725791
• LogD (pH = 7.4): -2.6930695
• Log P: 4.022647
• Molar Refractivity: 92.8052 cm^3
• Polarizability: 39.21235 Å^3
• Polar Surface Area: 100.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Partially soluble in cold water, hot water.
• Apperance: Cream powder. Characteristic odor.
• Melting Point: 365 to 367 °C
• Boiling Point: 626.2°C
• Density: Solid in pure form.; Density not available.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Main Hazard: Will irritate eyes and mucous membranes.
• NFPA704:
  

  1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (TLC)
• Empirical Formula (Hill Notation): C20H12N2O4

DETAILS

MP Biomedicals - 02193507

Free Acid
Photometric reagent for protein assay.

Sigma Aldrich - 14335

Application
2,2′-Biquinoline-4,4′-dicarboxylic acid has been used in a study that synthesized and structurally characterized six metal-organic coordination polymers.