2-(trimethylazaniumyl)acetate

• ChemBase编号: 102294
• 分子式: C5H11NO2
• 平均质量: 117.14634
• 单一同位素质量: 117.0789786
• SMILES: C[N+](C)(C)CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C[N+](C)(C)C
• InChI: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
• InChIKey: KWIUHFFTVRNATP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(trimethylazaniumyl)acetate
• IUPAC传统名: glycine betaine; Bet
• 别名: 甜菜碱 溶液; 甜菜碱; 甘氨酸三甲胺内盐, 无水; Additive Screening Solution 40/Fluka kit no 78374; Betaine solution; (Carboxymethyl)trimethylammonium inner salt; Betaine; Lycine; Oxyneurine; βINE FREE BASE ANYHYDROUS; βINE, ANHYDROUS; Betaine; TMe; glycine betaine; betaine anhydroue; N,N,N-trimethylglycine; Trimethylglycine; Betaine, anhydrous; Betaine

登记号

• CAS号: 107-43-7
• EC号: 231-791-2; 203-490-6
• MDL号: MFCD00012123
• Beilstein号: 3537113
• 默克索引号: 141179
• PubChem SID: 162090169; 24848564; 24882186; 24851128; 24891511; 24891663
• PubChem CID: 247
• CHEBI ID: 17750
• ATC码: A16AA06
• CHEMBL: 1182
• Chemspider ID: 242
• 医学主题词(MeSH): Betaine
• 美国药典/FDA物质标识码: 3SCV180C9W
• 维基百科标题: Trimethylglycine

理论计算性质

• Acid pKa: 2.2595637
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -3.7238586
• LogD (pH = 7.4): -3.723654
• Log P: -4.494184
• 摩尔折射率: 52.8234 cm^3
• 极化性: 11.840481 Å^3
• 极化表面积: 40.13 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: methanol: soluble0.1 g/mL, clear; methanol: soluble1 M at 20 °C, clear, colorless
• 熔点: >300°C dec.; 301-305 °C (dec.); 310°C
• 密度: 1.00 g/mL at 20 °C

安全信息

• 保存条件: 2-8°C, Desiccate
• 保存注意事项: Hygroscopic
• RTECS编号: DS5900000
• 德国WGK号: 2; 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% (perchloric acid titration); ≥98.0% (NT); ≥99.0% (NT); 98%
• 浓度: 0.1 M; 5 M
• 级别: certified reference material; PCR Reagent; TraceCERT®
• 包装: vial of 1.5 mL
• 杂质: ≤1% water; insoluble matters, passes filter test
• 痕量阳离子: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤200 mg/kg; sulfate (SO42-): ≤200 mg/kg
• Foreign Activity: DNase, RNase, none detected
• 有效期: (limited shelf life, expiry date on the label)
• 产品线: BioUltra
• abs.: A1M/260 nm, methanol ≤0.08; A1M/280 nm, methanol ≤0.05
• 线性分子式: (CH3)3N+CH2COO-

详细说明

MP Biomedicals - 05214414

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101003

Free Base
Anhydrous

Sigma Aldrich - B0300

Application
The addition of betaine at a final concentration of 0.8-1.6M improves the amplification of DNA by reducing the formation of secondary structure in GC-rich regions. The addition of betaine has been reported to enhance the specificity of the polymerase chain reaction by eliminating the base pair composition dependence of DNA melting.1

Sigma Aldrich - 61962

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 - B2629

包装
1 kg in poly bottle
50, 100 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
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. B2629.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 14290

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 - 30056

General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
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
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC