ethyl 2-aminoacetate hydrochloride

• ChemBase ID: 102476
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-aminoacetate hydrochloride
• IUPAC Traditional name: amino-acetic acid ethyl ester hydrochloride
• Synonyms: 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; 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

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2299333
• LogD (pH = 7.4): -0.8175299
• Log P: -0.64477354
• Molar Refractivity: 25.5211 cm^3
• Polarizability: 10.418138 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 144-148 °C; 144-148°C; 145-146 °C(lit.); 145-146°C; 145-148 °C; 146-148°C
• Hydrophobicity(logP): -0.219

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: MC0525000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~99%; ≥98.0% (AT); ≥98.5%; ≥99.0% (AT); 95%; 98%; 99%
• Grade: puriss.; purum
• Salt Data: HCl
• Ignition Residue: ≤0.05%
• Cation Traces: Fe: ≤10 mg/kg
• Linear Formula: NH2CH2COOC2H5 · HCl

DETAILS

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
Packaging
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.

REFERENCES

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