2-[bis(2-hydroxyethyl)amino]ethan-1-ol hydrochloride

• ChemBase编号: 102804
• 分子式: C6H16ClNO3
• 平均质量: 185.64914
• 单一同位素质量: 185.08187106
• SMILES: Cl.OCCN(CCO)CCO
• Canonical SMILES: OCCN(CCO)CCO.Cl
• InChI: InChI=1S/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
• InChIKey: HHLJUSLZGFYWKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[bis(2-hydroxyethyl)amino]ethan-1-ol hydrochloride
• IUPAC传统名: TEA hydrochloride; triethanolamine hydrochloride
• 别名: 2,2',2''-次氮基三乙醇 盐酸盐; 三(2-羟乙基)胺 盐酸盐; 三乙醇胺 盐酸盐; 三乙醇胺盐酸盐; 2,2',2''-Nitrilotriethanol hydrochloride; Tris(2-hydroxyethyl)amine hydrochloride; TRIETHANOLAMINE HYDROCHLORIDE; 2,2′,2′′-Nitrilotriethanol hydrochloride; Triethanolamine hydrochloride

登记号

• CAS号: 637-39-8
• EC号: 211-284-2
• MDL号: MFCD00012596
• Beilstein号: 3909940
• 默克索引号: 149665
• PubChem SID: 24899972; 162088289; 24900428
• PubChem CID: 101814

理论计算性质

• Acid pKa: 15.115809
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -4.7145576
• LogD (pH = 7.4): -2.9557004
• Log P: -1.8801366
• 摩尔折射率: 38.865 cm^3
• 极化性: 15.211721 Å^3
• 极化表面积: 63.93 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: soluble1 M, clear, colorless
• 熔点: 177-179 °C(lit.); 177-179°C; 177-179°C; 178°C; 178-182 °C
• 紫外吸收波长: λ: 260 nm Amax: 0.05
• pKa: 7.8 (25°C)
• pH值: 4.0-5.5 (25 °C, 50 mg/mL in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Hygroscopic
• RTECS编号: KL9346500
• 德国WGK号: 1
• 安全公开号: 22
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ~99%; ≥99%; ≥99.0% (AT); ≥99.5% (titration); 99+%
• 级别: puriss. p.a.
• 燃烧残渣: ≤0.01% (as SO4); ≤0.1%
• 杂质: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.0005%; 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; K: ≤0.005%; K: ≤50 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• 痕量阴离子: sulfate (SO42-): ≤0.05%
• 适用pH范围: 7.3 - 8.3
• 产品线: BioXtra
• 线性分子式: (HOCH2CH2)3N · HCl

详细说明

MP Biomedicals - 05219270

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02103109

Crystalline
Purity: Approx. 99%
NOT FOR EXPORT

Sigma Aldrich - T1502

包装
1 kg in poly bottle
100, 250, 500 g in poly bottle

Sigma Aldrich - 158917

包装
100, 500 g in poly bottle