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

• ChemBase编号: 105612
• 分子式: C20H12N2O4
• 平均质量: 344.32028
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid
• IUPAC传统名: bicinchoninic acid
• 别名: 2,2′-二辛可宁酸; 2,2′-联喹啉-4,4′-二羧酸; [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

登记号

• CAS号: 1245-13-2
• EC号: 214-990-9
• MDL号: MFCD00068342
• Beilstein号: 321561
• PubChem SID: 162092388; 24848580
• PubChem CID: 71068
• CHEMBL: 431482
• Chemspider ID: 64223
• 维基百科标题: Bicinchoninic_acid

理论计算性质

• Acid pKa: 3.2556043
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 0.14725791
• LogD (pH = 7.4): -2.6930695
• Log P: 4.022647
• 摩尔折射率: 92.8052 cm^3
• 极化性: 39.21235 Å^3
• 极化表面积: 100.38 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Partially soluble in cold water, hot water.
• 外观: Cream powder. Characteristic odor.
• 熔点: 365 to 367 °C
• 沸点: 626.2°C
• 密度: Solid in pure form.; Density not available.

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 主要危害: Will irritate eyes and mucous membranes.
• NFPA704:
  

  1
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

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

详细说明

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.