L-Glutamic acid diethyl ester hydrochloride - ≥97% , CAS No.1118-89-4

CAS: 1118-89-4 Cat. No.: G116982 Molecular Weight: 239.7 Beilstein Registry Number: 3597595 EC Number: 214-270-4

GRADE & PURITY ≥97%

Synonyms

MFCD00002745 | L-glutamate diethyl ester hydrochloride | MFCD00012509 | Diethyl L-glutamate hydrochloride | (S)-1,5-Diethoxy-1,5-dioxopentan-2-amine hydrochloride | BCP07306 | SCHEMBL134418 | EINECS 214-270-4 | L-Glutamic acid diethyl ester hydrochloride

Storage

Room temperature

Shipped In

Normal

Overview

L-Glutamic acid diethyl ester hydrochloride can be used in the synthesis of: Oligo(γ-ethyl L-glutamate) via oligomerization catalyzed by papain. L-glutamic acid based dendritic compounds. Poly(α-peptide) by polymerization and copolymerization in the presence of protease catalysts.

Specifications

Synonyms

MFCD00002745 | L-glutamate diethyl ester hydrochloride | MFCD00012509 | Diethyl L-glutamate hydrochloride | (S)-1, 5-Diethoxy-1, 5-dioxopentan-2-amine hydrochloride | BCP07306 | SCHEMBL134418 | EINECS 214-270-4 | L-Glutamic acid diethyl ester hydrochloride

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488184842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184842
• Canonical Smiles: CCOC(=O)CCC(C(=O)OCC)N.Cl
• IUPAC Name: diethyl (2S)-2-aminopentanedioate;hydrochloride
• InChIKey: WSEQLMQNPBNMSL-FJXQXJEOSA-N
• INCHI: 1S/C9H17NO4.ClH/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;/h7H,3-6,10H2,1-2H3;1H/t7-;/m0./s1
• Isomeric SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)N.Cl
• WGK Germany: 3
• RTECS: MA1252280
• Alternate CAS: 1118-89-4,16450-41-2 (Parent)
• MeSH Entry Terms: glutamic acid diethyl ester;glutamic acid diethyl ester hydrochloride;glutamic acid diethyl ester hydrochloride, (D)-isomer;glutamyl diethyl ester;L-glutamate diethylester
• Molecular Weight: 239.7
• Beilstein: 3597595
• Reaxy-Rn: 4239173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4239173&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 Glutamic acid and derivatives

• 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: Glutamic acid and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: It has hygroscopicity. Soluble in ethanol and water.
• Specific Rotation[α]: 22.5 ° (C=3.6, EtOH)
• Melt Point(°C): 108-110°C
• Molecular Weight: 239.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 239.092 Da
• Monoisotopic Mass: 239.092 Da
• Topological Polar Surface Area: 78.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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