(carboxymethyl)trimethylazanium chloride

• ChemBase编号: 73210
• 分子式: C5H12ClNO2
• 平均质量: 153.60728
• 单一同位素质量: 153.05565631
• SMILES: OC(=O)C[N+](C)(C)C.[Cl-]
• Canonical SMILES: OC(=O)C[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
• InChIKey: HOPSCVCBEOCPJZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (carboxymethyl)trimethylazanium chloride
• IUPAC传统名: trimethyl glycine chloride
• 别名: (Carboxymethyl)trimethylammonium 盐酸盐; Betaine 盐酸盐; 甜菜碱盐酸盐; Betaine hydrochloride; (Carboxymethyl)trimethylammonium hydrochloride; Betaine; (carboxymethyl)(trimethyl)ammonium chloride; (Carboxymethyl)trimethylammonium chloride; (Carboxymethyl) trimethylammonium chloride; 1-Carboxy-N,N,N-trimethylmethanaminium chloride; Betaine chloride; Glycine betaine hydrochloride; Glycocoll betain hydrochloride; Pluchine; βINE HYDROCHLORIDE

登记号

• CAS号: 590-46-5
• EC号: 209-683-1
• MDL号: MFCD00011903
• Beilstein号: 3916181
• 默克索引号: 141179
• PubChem SID: 162038130; 24278266; 24891971
• PubChem CID: 11545

理论计算性质

• Acid pKa: 2.2595637
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.7238586
• LogD (pH = 7.4): -3.723654
• Log P: -4.494184
• 摩尔折射率: 41.9863 cm^3
• 极化性: 11.954945 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 2
• 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, clear, colorless
• 熔点: 241-242 °C(lit.); 241-242°C; 242-250 °C; ca 240°C dec.

安全信息

• 保存条件: -20°C; Room Temperature (15-30°C)
• RTECS编号: BP3136000
• 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
• 安全公开号: 26; 26-39
• TSCA收录: 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: P280-P264-P305+P351+P338-P337+P313; P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99%; ≥99.0% (T); 98%; 99%
• 成盐信息: HCL
• 燃烧残渣: ≤0.1%
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.05%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• 痕量阴离子: sulfate (SO42-): ≤0.05%
• 线性分子式: (CH3)3N+CH2COOH · Cl-

详细说明

MP Biomedicals - 02150461

Hydrochloride
Crystalline
Purity: 98% or greater

Selleck Chemicals - S2580

Related research area: Metabolic Disease

Sigma Aldrich - B7045

Biochem/physiol Actions
End-product of oxidative metabolism of choline, betaine is a general methyl donor, in particular in a minor pathway of methionine biosynthesis. It is used to treat homocystinuria, which is a defect in the major pathway of methionine biosynthesis.1

Sigma Aldrich - B3501

包装
1 kg in poly bottle
100, 250 g in poly bottle
Biochem/physiol Actions
End-product of oxidative metabolism of choline, betaine is a general methyl donor, in particular in a minor pathway of methionine biosynthesis. It is used to treat homocystinuria, which is a defect in the major pathway of methionine biosynthesis.1

Sigma Aldrich - 14295

Biochem/physiol Actions
End-product of oxidative metabolism of choline, betaine is a general methyl donor, in particular in a minor pathway of methionine biosynthesis. It is used to treat homocystinuria, which is a defect in the major pathway of methionine biosynthesis.1

参考文献

• http://en.wikipedia.org/wiki/Betaine