Glycine benzyl ester hydrochloride - ≥98% , CAS No.2462-31-9

CAS: 2462-31-9 Cat. No.: G100449 Molecular Weight: 201.65 EC Number: 886-655-0

GRADE & PURITY ≥98%

Synonyms

benzyl 2-aminoacetate HCl | HCl H-Gly-OBn | Benzyl glycinate hydrochloride | BCP25033 | Glycine, phenylmethyl ester, hydrochloride (1:1) | Gly-OBn.HCl | H-Gly-Obz HCl | FT-0634301 | Glycine benzyl ester hydrochloride | NCGC00159539-01 | Glycine, phenylmet

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Glycine benzyl ester is used as an organic reagent in condensing reactions.

Specifications

Synonyms

benzyl 2-aminoacetate HCl | HCl H-Gly-OBn | Benzyl glycinate hydrochloride | BCP25033 | Glycine, phenylmethyl ester, hydrochloride (1:1) | Gly-OBn.HCl | H-Gly-Obz HCl | FT-0634301 | Glycine benzyl ester hydrochloride | NCGC00159539-01 | Glycine, phenylmet

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

The benzyl ester group of the amino acid monomers promote kinetically controlled synthesis (KCS) of polypeptides by increasing the substrate affinity and specificity of the enzyme. It is useful in the chemoenzymatic polymerization of glycine monomers.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766653
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766653
• Canonical Smiles: C1=CC=C(C=C1)COC(=O)CN.Cl
• IUPAC Name: benzyl 2-aminoacetate;hydrochloride
• InChIKey: VLQHNAMRWPQWNK-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)CN.Cl
• Molecular Weight: 201.65
• Reaxy-Rn: 3915653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3915653&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: Benzyloxycarbonyls Quaternary ammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic 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

• Sensitivity: Moisture sensitive. Air sensitive
• Melt Point(°C): 139-140° C
• Molecular Weight: 201.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 201.056 Da
• Monoisotopic Mass: 201.056 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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. Si Chen, Guodong Tang, Bozhen Wu, Meng Ma, Xu Wang.  (2015)  The key effect of the self-assembly mechanism of dendritic gelators: solubility parameters, generations and terminal effects.  RSC Advances,  5  (44): (35282-35290).  [PMID:] [10.1039/C4RA17339B]

2. Jun Jing, Zhiyong Li, Yuanchao Pei, Huiyong Wang, Jianji Wang.  (2013)  Equilibrium partitioning of drug molecules between aqueous and amino acid ester-based ionic liquids.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2013.02.011]