N-Glycylglycine ethyl ester hydrochloride - ≥95% , CAS No.2087-41-4

CAS: 2087-41-4 Cat. No.: G182698 Molecular Weight: 196.6 EC Number: 898-192-1

GRADE & PURITY ≥95%

Synonyms

F70027 | Glycylglycine ethyl ester hydrochloride | glycyl-glycine ethyl ester hydrochloride | Glycine, N-glycyl-, ethyl ester, monohydrochloride | SCHEMBL265730 | MFCD00039057 | Ethyl glycylglycinate hydrochloride | Gly-Gly ethyl ester hydrochloride | H-G

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

F70027 | Glycylglycine ethyl ester hydrochloride | glycyl-glycine ethyl ester hydrochloride | Glycine, N-glycyl-, ethyl ester, monohydrochloride | SCHEMBL265730 | MFCD00039057 | Ethyl glycylglycinate hydrochloride | Gly-Gly ethyl ester hydrochloride | H-G

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488194085
• Canonical Smiles: CCOC(=O)CNC(=O)CN.Cl
• IUPAC Name: ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
• InChIKey: DNIFIBGXDGNBHN-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O3.ClH/c1-2-11-6(10)4-8-5(9)3-7;/h2-4,7H2,1H3,(H,8,9);1H
• Isomeric SMILES: CCOC(=O)CNC(=O)CN.Cl
• Molecular Weight: 196.6
• Reaxy-Rn: 3630207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3630207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha peptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Hydrochloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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.
• Molecular Weight: 196.630 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.061 Da
• Monoisotopic Mass: 196.061 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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

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