2-[bis(2-hydroxyethyl)amino]acetic acid

• ChemBase编号: 3363
• 分子式: C6H13NO4
• 平均质量: 163.17172
• 单一同位素质量: 163.0844579
• SMILES: OCCN(CCO)CC(=O)O
• Canonical SMILES: OCCN(CC(=O)O)CCO
• InChI: InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
• InChIKey: FSVCELGFZIQNCK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[bis(2-hydroxyethyl)amino]acetic acid
• IUPAC传统名: bicine
• 别名: N,N-双(2-羟乙基)甘氨酸; N,N-二(2-羟乙基)甘氨酸; Bicine; 2-(bis(2-hydroxyethyl)amino)acetic acid; BICINE buffer Solution; PEG Grid Screening Solution 24/Fluka kit no 36436; N,N-Bis(2-hydroxyethyl)glycine; BICINE; BICINE 30% PEG 600 solution; DIHYDROXYETHYLGLYCINE; N,N-bis [2-hydroxyethyl]glycine; BICINE; N,N-Bis(2-hydroxyethyl)glycine; Diethylolglycine; Diethanol glycine; Dihydroxyethylglycine; N,N-Di(2-hydroxyethyl)glycine

登记号

• CAS号: 150-25-4
• EC号: 231-791-2; 205-755-1
• MDL号: MFCD00004295
• Beilstein号: 1769362
• 默克索引号: 141201
• PubChem SID: 24891738; 24888105; 160966804; 24848916; 24892086; 46505980
• PubChem CID: 8761
• CHEBI ID: 39066
• CHEMBL: 1231251
• Chemspider ID: 8431
• DrugBank ID: DB03709
• 维基百科标题: Bicine

理论计算性质

JChem

• Acid pKa: 3.0065813
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -4.369984
• LogD (pH = 7.4): -4.5250278
• Log P: -4.3707895
• 摩尔折射率: 38.6573 cm^3
• 极化性: 15.1906805 Å^3
• 极化表面积: 81.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -1.59
• LOG S: 0.05
• 溶解度: 1.82e+02 g/l

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL at 20 °C, clear; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless; Soluble in water
• 熔点: 190°C; ca 191°C dec.
• 密度: 1.05 g/mL at 20 °C; 1.06 g/mL at 20 °C
• 紫外吸收波长: A1M/260, H2O ≤0.05; A1M/280, H2O ≤0.05; λ: 260 nm Amax: <0.07; λ: 260 nm Amax: 0.070; λ: 280 nm Amax: <0.04; λ: 280 nm Amax: 0.040
• pKa: 8.3; 8.3 (20°C); 8.3 (25°C)
• pH值: 4.0-5.5 (25 °C, 1 M in H2O); 4.0-6.0 (1 M in H2O); 5.0±0.2; 9.0±0.2 ( in neat)

安全信息

• 保存条件: 2-8°C; Room Temperature (15-30°C)
• RTECS编号: MB9700000
• 德国WGK号: 1; 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves; 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: ~98%; ≥99% (titration); ≥99.0% (T); ≥99.5% (T); 98%; 99%
• 浓度: 0.1 M; 1 M in H2O
• 级别: for molecular biology
• 适用性: in accordance for filter test
• 燃烧残渣: ≤0.1%; ≤0.5%
• 杂质: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter; DNases, none detected; 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: <0.001%; Ca: ≤10 mg/kg; Ca: ≤20 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; chloride (Cl-): ≤500 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤50 mg/kg
• 干燥失重: ≤0.1% loss on drying, 20 °C (HV); ≤0.5% loss on drying, 20 °C (HV)
• pH范围: 7.6 - 9.0
• 产品质量级别: ELITE
• λ: 1 M in H2O; neat
• 适用pH范围: 7.6 - 9.0
• 产品线: BioUltra
• Empirical Formula (Hill Notation): C6H13NO4

详细说明

MP Biomedicals - 02151490

Purity: ~98%
White crystals or powder
Chelating agent

MP Biomedicals - 02101005

pKa = 8.3 at 25°C
Useful pH range 7.6-9.0

DrugBank - DB03709

Drug information: experimental

Sigma Aldrich - 14871

Application
低温生化作业的推荐缓冲液。1用于制备测定血清鸟嘌呤酶的稳定底物溶液。2采用交联葡聚糖通过等速电泳对血浆蛋白进行分级分离中的间隔臂。3
BICINE can be used to study biological buffers and zwitterionic compounds. N,N-Bis(2-hydroxyethyl)glycine has been used in a study that characterized refined crystal structures of human Ca2+/Zn2+-binding S100A3 protein. N,N-Bis(2-hydroxyethyl)glycine has also been used in a study to inform F1 antigen assembly.

Sigma Aldrich - 14844

Application
低温生化作业的推荐缓冲液。1用于制备测定血清鸟嘌呤酶的稳定底物溶液。2采用交联葡聚糖通过等速电泳对血浆蛋白进行分级分离中的间隔臂。3

Sigma Aldrich - 14872

Application
低温生化作业的推荐缓冲液。1用于制备测定血清鸟嘌呤酶的稳定底物溶液。2采用交联葡聚糖通过等速电泳对血浆蛋白进行分级分离中的间隔臂。3

Sigma Aldrich - B3876

Application
低温生化作业的推荐缓冲液。1用于制备测定血清鸟嘌呤酶的稳定底物溶液。2采用交联葡聚糖通过等速电泳对血浆蛋白进行分级分离中的间隔臂。3
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. B3876.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - B8660

Application
低温生化作业的推荐缓冲液。1用于制备测定血清鸟嘌呤酶的稳定底物溶液。2采用交联葡聚糖通过等速电泳对血浆蛋白进行分级分离中的间隔臂。3

参考文献

• Biological buffer, pK _a = 8.35 at 20 ^o : Biochemistry, 5, 467 (1966).