2-[bis(2-hydroxyethyl)amino]ethane-1-sulfonic acid

• ChemBase编号: 102273
• 分子式: C6H15NO5S
• 平均质量: 213.252
• 单一同位素质量: 213.06709359
• SMILES: OCCN(CCO)CCS(=O)(=O)O
• Canonical SMILES: OCCN(CCS(=O)(=O)O)CCO
• InChI: InChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)
• InChIKey: AJTVSSFTXWNIRG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[bis(2-hydroxyethyl)amino]ethane-1-sulfonic acid
• IUPAC传统名: N,N-bis(2-hydroxyethyl)taurine; BES
• 别名: 2-(二乙醇氨基)乙磺酸; N,N-双(2-羟乙基)-2-氨基乙磺酸; N,N-二(2-羟乙基)-2-氨基乙磺酸; BES; N,N-bis(2-Hydroxyethyl)-2-aminoethanesulfonic acid; N,N-Bis(2-hydroxyethyl)taurine; BES; S-PHENYLTHIOACETATE; N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid

登记号

• CAS号: 10191-18-1; 934-87-2
• EC号: 213-294-2; 233-465-5
• MDL号: MFCD00007533
• Beilstein号: 1781572
• PubChem SID: 24891788; 24891908; 24892162; 162089950; 24848910
• PubChem CID: 73243

理论计算性质

• Acid pKa: -1.5125912
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): -3.6491382
• LogD (pH = 7.4): -3.7553413
• Log P: -3.6475544
• 摩尔折射率: 47.259 cm^3
• 极化性: 19.362354 Å^3
• 极化表面积: 98.07 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless; Soluble in water
• 熔点: 150-155 °C; 152- 154°C; 153-157°C
• 紫外吸收波长: λ: 260 nm Amax: 0.095; λ: 280 nm Amax: 0.080
• pKa: 7.1 (25°C); 7.15 (20°C)
• pH值: 2.5-5.0 (25 °C, 1 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: AJ7559000; KI7363500
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99%; ~98%; ≥99.0% (T); ≥99.0% (titration); ≥99.5% (T); 98%; 99%
• 级别: for molecular biology
• 适用性: cell culture tested
• 燃烧残渣: ≤0.1% (as SO4); ≤0.2%
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; DNases, none detected; endotoxin and bioburden, tested; insoluble matter, passes filter test; phosphatases, none detected; proteases, none detected; RNases, none detected
• 痕量阳离子: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.0005%; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; K: ≤0.005%; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.05%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Foreign Activity: DNAse (exonuclease), NICKase (endonuclease), RNAse, and protease, none detected
• 干燥失重: ≤0.05% loss on ignition, 900 °C; ≤0.1% loss on drying, 110 °C
• 产品质量级别: ELITE
• λ: 1 M in H2O
• 适用pH范围: 6.4 - 7.8
• 操作pH范围: 6.6 - 7.6
• 产品线: BioReagent; BioUltra; BioXtra
• abs.: A1M/260, H2O ≤0.095; A1M/280, H2O ≤0.080
• Empirical Formula (Hill Notation): C6H15NO5S

详细说明

MP Biomedicals - 02102611

Purity: ~98%
Substrate for esterase determination.

MP Biomedicals - 02194545

Cell Culture Reagent
Free Acid
Crystalline
Zwitterionic buffer
pKa=7.1 at 25°C, useful pH range 6.4-7.8.

MP Biomedicals - 02194808

Free Acid
Molecular Biology Reagent
Purity: 99+%
Zwitterionic buffer, pKa = 7.1 at 25°C; useful pH range 6.4-7.8.

MP Biomedicals - 02100927

Free Acid
Crystalline
Zwitterionic buffer
pKa=7.1 at 25°C, useful pH range 6.4-7.8.

Sigma Aldrich - 14853

Application
BES, or N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid, can be used to study molecular biology, biological buffers, molecular biology reagents and zwitterionic compounds. BES has been used to study versatile catalyst precursors for mild hydrocarboxylation of alkanes to carboxylic acids. BES has also been used to determine that saline and buffers minimize the action of interfering factors in the bacterial endotoxins test.

Sigma Aldrich - 14854

Other Notes
Use of discrete spacers for the separation of proteins by gel isotachophoresis1; Satisfactory for electron transport studies in chloroplast lamellae preparations2

Sigma Aldrich - 14855

Other Notes
生物缓冲液1

参考文献

• Anal. Biochem. , 48 : 428 (1972).
• Biological buffer, pK_a 7.15 at 20xC: Biochemistry, 5, 467 (1966).