ethyl 2-aminoacetate hydrochloride

• ChemBase编号: 102476
• 分子式: C4H10ClNO2
• 平均质量: 139.5807
• 单一同位素质量: 139.04000625
• SMILES: Cl.CCOC(=O)CN
• Canonical SMILES: CCOC(=O)CN.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H
• InChIKey: TXTWXQXDMWILOF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-aminoacetate hydrochloride
• IUPAC传统名: amino-acetic acid ethyl ester hydrochloride
• 别名: 甘氨酸乙酯.盐酸盐; 乙基甘氨酸酯 盐酸盐; 甘氨酸乙酯 盐酸盐; Ethyl glycinate hydrochloride; GLYCINE ETHYL ESTER HYDROCHLORIDE; Gly-OEt HCl; H-Gly-OEt.HCl; (2-Ethoxy-2-oxoethyl)ammonium Chloride; Aminoacetic Acid Ethyl Ester Hydrochloride; Ethyl 2-Aminoacetate Hydrochloride; Ethyl Aminoacetate Hydrochloride; Glycine Ethyl Ester Monohydrochloride; Glycine Hydrochloride Ethyl Ester; ethyl 2-aminoacetate hydrochloride; GEE; Glycine ethyl ester hydrochloride

登记号

• CAS号: 623-33-6
• EC号: 210-787-4
• MDL号: MFCD00012871
• Beilstein号: 3594034
• PubChem SID: 24895258; 162088442
• PubChem CID: 2723640

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.2299333
• LogD (pH = 7.4): -0.8175299
• Log P: -0.64477354
• 摩尔折射率: 25.5211 cm^3
• 极化性: 10.418138 Å^3
• 极化表面积: 52.32 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 144-148 °C; 144-148°C; 145-146 °C(lit.); 145-146°C; 145-148 °C; 146-148°C
• 疏水性(logP): -0.219

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• RTECS编号: MC0525000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 41
• 安全公开号: 26-39
• TSCA收录: 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H318
• GHS警示性声明: P280-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%; ≥98.0% (AT); ≥98.5%; ≥99.0% (AT); 95%; 98%; 99%
• 级别: puriss.; purum
• 成盐信息: HCl
• 燃烧残渣: ≤0.05%
• 痕量阳离子: Fe: ≤10 mg/kg
• 线性分子式: NH2CH2COOC2H5 · HCl

详细说明

MP Biomedicals - 02101829

Hydrochloride
Crystalline
Purity: ~99%

Sigma Aldrich - G6503

Application
Glycine ethyl ester (GEE) is used in conjunction with N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide (EDC) for carboxyl-footprinting studies of proteins. The GEE/EDC protocol effects specific derivatization of glutamate and aspartate carboxyl side chains on intact proteins. This reaction is readily done under aqueous conditions at physiological pH.1,2
包装
100, 500 g in poly bottle
5 g in glass bottle

Toronto Research Chemicals - G625225

A Glycine (G615990) ester used as parakeratosis inhibitor and external composition for skin.

参考文献

• Pucci, B., et al.: Eur. Polymer J., 26, 731 (1990)
• Reacts with ?-diketones to give substituted pyrrole-2-carboxylic esters: Synthesis, 157 (1982):