disodium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate hydrate

• ChemBase编号: 130809
• 分子式: C20H12N2Na2O5
• 平均质量: 406.29922
• 单一同位素质量: 406.05416006
• SMILES: c1ccc2c(c1)c(cc(n2)c1cc(c2ccccc2n1)C(=O)[O-])C(=O)[O-].O.[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)c1cc(nc2c1cccc2)c1nc2ccccc2c(c1)C(=O)[O-].O.[Na+].[Na+]
• InChI: InChI=1S/C20H12N2O4.2Na.H2O/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);;;1H2/q;2*+1;/p-2
• InChIKey: FAFVGCAYKZKOPT-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate hydrate
• IUPAC传统名: disodium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate hydrate
• 别名: 2,2′-联喹啉-4,4′-二羧酸 二钠盐; 4,4′-二羧基-2,2′-二喹啉 二钠盐; 2,2′-Biquinoline-4,4′-dicarboxylic acid disodium salt; 4,4′-Dicarboxy-2,2′-biquinoline disodium salt; BCA; Disodium 2,2′-biquinoline-4,4′-dicarboxylate; Bicinchoninic acid disodium salt hydrate

登记号

• CAS号: 979-88-4(anhydrous)
• MDL号: MFCD10567219
• PubChem SID: 24894202; 24848583; 162225087
• PubChem CID: 71308346

理论计算性质

• Acid pKa: 3.2556043
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 0.14725791
• LogD (pH = 7.4): -2.6930695
• Log P: 4.022647
• 摩尔折射率: 114.4794 cm^3
• 极化性: 39.02851 Å^3
• 极化表面积: 106.04 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: 0.5% sodium bicarbonate: soluble50 mg/mL
• 外观: white to light yellow powder

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/38
• 安全公开号: 26
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H315-H319-H334
• GHS警示性声明: P261-P305 + P351 + P338-P342 + P311
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC); ≥99.0% (HPLC)
• 杂质: ~12% water
• Empirical Formula (Hill Notation): C20H10N2Na2O4 · xH2O

详细说明

Sigma Aldrich - 14339

Other Notes
Photometric reagent for protein assay. Forms an intense purple complex with the cuprous ion and hence the basis of the analytical monitoring of cuprous ion produced in the biuret reaction. Demonstrates greater tolerance to interference from non-ionic detergents and simple buffer salts1,2,3

Sigma Aldrich - D8284

Application
For the determination of protein concentration.