2-(methylamino)acetic acid

• ChemBase编号: 69947
• 分子式: C3H7NO2
• 平均质量: 89.09318
• 单一同位素质量: 89.04767847
• SMILES: C(=O)(CNC)O
• Canonical SMILES: CNCC(=O)O
• InChI: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
• InChIKey: FSYKKLYZXJSNPZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(methylamino)acetic acid
• IUPAC传统名: sarcosine
• 别名: N-甲基甘氨酸; 肌氨酸; N-METHYLGLYCINE; 2-(methylamino)acetic acid; Sarcosine; N-Methylglycine; Sarcosine; Methylaminoacetic acid; (Methylamino)acetic Acid; (Methylamino)ethanoic Acid; N-Methylglycocoll; Methylglycine; Sarcosin; Sarcosinic Acid; Sar

登记号

• CAS号: 107-97-1
• EC号: 203-538-6
• MDL号: MFCD00004279
• Beilstein号: 1699442
• 默克索引号: 148373
• PubChem SID: 24888235; 162035672; 24848035; 24899761
• PubChem CID: 1088
• CHEBI ID: 15611
• CHEMBL: 304383
• Chemspider ID: 1057
• Gmelin ID: 2018
• KEGG ID: C00213
• 医学主题词(MeSH): Sarcosine
• 美国药典/FDA物质标识码: Z711V88R5F
• 维基百科标题: Sarcosine

理论计算性质

• Acid pKa: 2.0566752
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.1863375
• LogD (pH = 7.4): -3.1866522
• Log P: -3.186261
• 摩尔折射率: 20.778 cm^3
• 极化性: 8.358352 Å^3
• 极化表面积: 49.33 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: 89.09 g L^-1 (at 20 °C) in water; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless
• 外观: White crystalline powder
• 熔点: 208 - 212°C; 208°C (dec.); 208-212 °C (dec.); 208-212 °C (dec.)(lit.); ca 208°C dec.
• 沸点: 195.1°C
• 密度: 1.093 g/mL
• 分配系数: 0.599
• 紫外吸收波长: 260 nm; λ: 260 nm Amax: 0.05; λ: 280 nm Amax: 0.04
• pKa: 2.36
• pKb: 11.64
• 气味: Odourless
• 热容: 128.9 J K^-1 mol^-1
• 标准摩尔燃烧焓 (ΔcH^o298): -1667.84–-1667.54 kJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -513.50–-512.98 kJ mol^-1
• 吸光度: 0.05
• pH值: 6.0-7.0 (25 °C, 1 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic; IRRITANT
• RTECS编号: VQ2897000
• 德国WGK号: 1
• TSCA收录: false; 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: ≥98.0% (T); ≥99.0% (NT); 95+%; 98%
• 级别: purum
• 燃烧残渣: ≤0.05%; ≤0.1%; ≤0.1% (as SO4)
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; 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: ≤0.0005%; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.001%; 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: ≤0.05%; 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: chloride (Cl-): ≤0.5%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤50 mg/kg
• 干燥失重: ≤0.1% loss on drying, 20 °C (HV)
• 品质说明: crystallized
• λ: 1 M in H2O
• 产品线: BioUltra
• 线性分子式: CH3NHCH2COOH
• 分类: Genuine Natural Compounds

详细说明

MP Biomedicals - 05212455

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02102857

Free Base
Crystalline
Purity: 98%

Sigma Aldrich - S7672

包装
10 mg in autosmp vl

Sigma Aldrich - 131776

包装
100, 500 g in poly bottle

Sigma Aldrich - 84530

Other Notes
Solubilization of myelin proteins by detergents1

Toronto Research Chemicals - S140500

Has been found in starfish and sea urchins. It is used as intermediate in the synthesis of antienzyme agents for toothpaste. Found to be a marker for prostate cancer bioagression.

参考文献

• Baumann, et al.: J. Biol. Chem., 21, 563 (1915)
• Novellie, L., et al.: Nature, 173, 450 (1915)
• Arun, S., et al.: Nature, 457, 910 (1915)