3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid

• ChemBase编号: 53591
• 分子式: C9H20N2O4S
• 平均质量: 252.3311
• 单一同位素质量: 252.11437813
• SMILES: S(=O)(=O)(O)CCCN1CCN(CC1)CCO
• Canonical SMILES: OCCN1CCN(CC1)CCCS(=O)(=O)O
• InChI: InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
• InChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
• IUPAC传统名: EPPS
• 别名: 4-(2-羟乙基)-1-哌嗪丙磺酸; 4-羟乙基哌嗪丙磺酸; N-(2-羟乙基)哌嗪-N′-(3-丙磺酸); 4-(2-羟乙基)-1-哌嗪丙磺酸; N-(2-Hydroxyethyl)piperazine-N′-(3-propanesulfonic acid); 3-[4-(2-Hydroxyethyl)-1-piperazinyl]-1-propanesulfonic acid; 4-(2-Hydroxyethyl)piperazine-1-propanesulfonic acid; EPPS; N-(2-Hydroxyethyl)piperazine-N'-(3-propanesulfonic acid); HEPPS; 4-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acid; 3-(4-(2-Hydroxyethyl)piperazin-1-yl)propane-1-sulfonic acid; N-2-Hydroxyethylpiperazine-N'-3-propanesulfonic acid; EPPS; HEPPS

登记号

• CAS号: 16052-06-5
• EC号: 240-198-8
• MDL号: MFCD00006160
• Beilstein号: 3957385
• PubChem SID: 24878781; 24894443; 162058354; 24894366; 24894698
• PubChem CID: 85255
• CHEBI ID: 42298
• Chemspider ID: 76886
• 维基百科标题: HEPPS

理论计算性质

• Acid pKa: -0.8282852
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): -3.0518415
• LogD (pH = 7.4): -3.0968015
• Log P: -3.0526037
• 摩尔折射率: 61.8822 cm^3
• 极化性: 24.954128 Å^3
• 极化表面积: 81.08 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 M at 20 °C, clear; H2O: soluble0.1 M at 20 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless
• 熔点: (dec.); 230°C (dec.); 237-239 °C; 237-239 °C(lit.); 242°C dec.
• 紫外吸收波长: A1M/260, H2O ≤0.1; A1M/280, H2O ≤0.1; λ: 260 nm Amax: 0.055; λ: 280 nm Amax: 0.045
• pKa: 8; 8.0
• pH值: 5.0-6.5 (25 °C, 0.1 M in H2O); 5.0-7.0 (20 °C, 1 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: IRRITANT
• RTECS编号: TM2649130
• 德国WGK号: 3
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (T); ≥99.0% (T); ≥99.5% (titration); 98%; 99%
• 级别: Biotechnology Performance Certified
• 适用性: cell culture tested
• 燃烧残渣: ≤0.1%
• 杂质: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter; endotoxin and bioburden, tested; insoluble matter, passes filter test
• 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: ≤0.002%; Ca: ≤10 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; heavy metals (as Pb): ≤5 ppm; 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+: ≤0.1%; 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: bromide (Br-): ≤0.1%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• pH范围: 7.3 - 8.7
• λ: 0.1 M in H2O
• 适用pH范围: 7.3 - 8.7
• 产品线: BioUltra
• Empirical Formula (Hill Notation): C9H20N2O4S

详细说明

MP Biomedicals - 02194547

Cell Culture Reagent
Crystalline
Useful pH range 7.3-8.7
This is the propane analog of HEPES.

MP Biomedicals - 02101927

Crystalline
Useful pH range 7.3-8.7
This is the propane analog of HEPES.

Sigma Aldrich - E9502

包装
1 kg in poly bottle
10, 25, 100, 250 g in poly bottle
5 kg in poly drum

Sigma Aldrich - 54465

Other Notes
As separator in ultrathin isoelectric focusing gels - enhances the resolution of phosphoglucomutase1

Sigma Aldrich - 163740

Application
在生理 pH 值范围内可用的缓冲剂。