Glycine ethyl ester hydrochloride - ≥99% , CAS No.623-33-6

CAS: 623-33-6 Cat. No.: G105477 Molecular Weight: 139.58 Beilstein Registry Number: 3594034 EC Number: 210-787-4

GRADE & PURITY ≥99%

Synonyms

Ethyl glycinate hydrochloride | GEE

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

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.

Specifications

Synonyms

Ethyl glycinate hydrochloride | GEE

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488192168
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192168
• Canonical Smiles: CCOC(=O)CN.Cl
• IUPAC Name: ethyl 2-aminoacetate;hydrochloride
• InChIKey: TXTWXQXDMWILOF-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H
• Isomeric SMILES: CCOC(=O)CN.Cl
• WGK Germany: 3
• RTECS: MC0525000
• Molecular Weight: 139.58
• Beilstein: 3594034
• Reaxy-Rn: 3594034
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3594034&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water (>1000 mg/ml at 20°C), ethanol, DMSO, and methanol.
• Sensitivity: Hygroscopic
• Melt Point(°C): 143～146℃
• Molecular Weight: 139.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.04 Da
• Monoisotopic Mass: 139.04 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yiqian Huang, Zhiyun Du, Tianyi Zheng, Wei Jing, Huanhuan Liu, Xue Liu, Jianping Mao, Xu Zhang, Qing Cai, Dafu Chen, Xiaoping Yang.  (2021)  Antibacterial, conductive, and osteocompatible polyorganophosphazene microscaffolds for the repair of infectious calvarial defect.  JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A,  109  (12): (2580-2596).  [PMID:34173709] [10.1002/jbm.a.37252]

2. Yiqian Huang, Zhaohui Huang, Huanhuan Liu, Xu Zhang, Qing Cai, Xiaoping Yang.  (2020)  Photoluminescent biodegradable polyorganophosphazene: A promising scaffold material for in vivo application to promote bone regeneration.  Bioactive Materials,      [PMID:31993535] [10.1016/j.bioactmat.2020.01.008]

3. Wen Zhao, Jincheng Wang.  (2017)  Preparation and Characterization of a Cyclophosphamide-Core PAMAM Dendritic Montmorillonite.  Silicon,  10  (2): (483-493).  [PMID:] [10.1007/s12633-016-9478-9]