L-Glutamine t-butyl ester hydrochloride - ≥98% , CAS No.39741-62-3

CAS: 39741-62-3 Cat. No.: G116977 Molecular Weight: 238.71 EC Number: 846-714-3

GRADE & PURITY ≥98%

Synonyms

ZEPNUNKDKQACNC-RGMNGODLSA-N | H-Gln-OtBu hydrochloride | (S)-2-Amino-4-carbamoyl-butyric acid tert-butyl ester; hydrochloride | H-Gln-OtBu.HCl | L-Gln-OtBu⋅HCl | BCP06950 | MFCD00039081 | H-L-Gln-OtBu HCl | tert-butyl l-glutaminate hydrochloride | AKOS015

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

application：

L-Glutamine t-butyl ester a C-terminally blocked α amino acid that may be useful in studies of glutamine transport.

Specifications

Synonyms

ZEPNUNKDKQACNC-RGMNGODLSA-N | H-Gln-OtBu hydrochloride | (S)-2-Amino-4-carbamoyl-butyric acid tert-butyl ester; hydrochloride | H-Gln-OtBu.HCl | L-Gln-OtBu⋅HCl | BCP06950 | MFCD00039081 | H-L-Gln-OtBu HCl | tert-butyl l-glutaminate hydrochloride | AKOS015

Specifications & Purity

≥98%

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: 504767907
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767907
• Canonical Smiles: CC(C)(C)OC(=O)C(CCC(=O)N)N.Cl
• IUPAC Name: tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride
• InChIKey: ZEPNUNKDKQACNC-RGMNGODLSA-N
• INCHI: 1S/C9H18N2O3.ClH/c1-9(2,3)14-8(13)6(10)4-5-7(11)12;/h6H,4-5,10H2,1-3H3,(H2,11,12);1H/t6-;/m0./s1
• Isomeric SMILES: CC(C)(C)OC(=O)[C@H](CCC(=O)N)N.Cl
• WGK Germany: 3
• Molecular Weight: 238.71
• Reaxy-Rn: 13868830
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13868830&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 Glutamine 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: Glutamine and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Fatty amides Primary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty amide - Fatty acyl - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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: Methanol (Slightly), Water (Slightly)
• Sensitivity: Moisture sensitive.
• Molecular Weight: 238.710 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 238.108 Da
• Monoisotopic Mass: 238.108 Da
• Topological Polar Surface Area: 95.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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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