Methyl L-asparaginate monohydrochloride - ≥95% , CAS No.57461-34-4

CAS: 57461-34-4 Cat. No.: M113263 Molecular Weight: 182.61 EC Number: 260-748-0

GRADE & PURITY ≥95%

Synonyms

L-Asparagine methyl ester hydrochloride | AM81563 | AS-38359 | H-Asn-OMe.HCl | AKOS016842907 | QOMQXHIJXUDQSS-DFWYDOINSA-N | FS-4603 | beta-Indolaethylamin-chlorhydrat [German] | Methyl L-asparaginate hydrochloride | L-Asn-OMe⋅HCl | (s)-2-amino-succinamic

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

L-Asparagine methyl ester hydrochloride | AM81563 | AS-38359 | H-Asn-OMe.HCl | AKOS016842907 | QOMQXHIJXUDQSS-DFWYDOINSA-N | FS-4603 | beta-Indolaethylamin-chlorhydrat [German] | Methyl L-asparaginate hydrochloride | L-Asn-OMe⋅HCl | (s)-2-amino-succinamic

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

• Canonical Smiles: COC(=O)C(CC(=O)N)N.Cl
• IUPAC Name: methyl (2S)-2,4-diamino-4-oxobutanoate;hydrochloride
• InChIKey: QOMQXHIJXUDQSS-DFWYDOINSA-N
• INCHI: 1S/C5H10N2O3.ClH/c1-10-5(9)3(6)2-4(7)8;/h3H,2,6H2,1H3,(H2,7,8);1H/t3-;/m0./s1
• Isomeric SMILES: COC(=O)[C@H](CC(=O)N)N.Cl
• Molecular Weight: 182.61
• Reaxy-Rn: 6436037
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6436037&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 Asparagine 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: Asparagine and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Fatty amides Methyl esters Primary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Asparagine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty amide - Fatty acyl - Methyl ester - 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 asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 182.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 182.046 Da
• Monoisotopic Mass: 182.046 Da
• Topological Polar Surface Area: 95.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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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