Methyl 2-amino-4-(methylthio)butanoate hydrochloride - ≥95% , CAS No.16118-36-8

CAS: 16118-36-8 Cat. No.: M587493 Molecular Weight: 199.70 EC Number: ‘240-285-0

GRADE & PURITY ≥95%

Synonyms

MFCD00070385 | A817542 | l-methionine methyl ester hydro-chloride | FT-0625548 | EN300-09315 | H-Met-Ome HCl | NSC522231 | NSC-522231 | PROPIRAM FUMARATE [MI] | FT-0702868 | SY066424 | DL-Met-OMe??HCl | AS-12214 | H-DL-Met-OMe.HCl | dl-methionine methyl e

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD00070385 | A817542 | l-methionine methyl ester hydro-chloride | FT-0625548 | EN300-09315 | H-Met-Ome HCl | NSC522231 | NSC-522231 | PROPIRAM FUMARATE [MI] | FT-0702868 | SY066424 | DL-Met-OMe??HCl | AS-12214 | H-DL-Met-OMe.HCl | dl-methionine methyl e

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: 504767262
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767262
• Canonical Smiles: COC(=O)C(CCSC)N.Cl
• IUPAC Name: methyl 2-amino-4-methylsulfanylbutanoate;hydrochloride
• InChIKey: MEVUPUNLVKELNV-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H
• Isomeric SMILES: COC(=O)C(CCSC)N.Cl
• Alternate CAS: 43189-32-8
• NSC Number: NSC Number': ['522231
• Molecular Weight: 199.70
• Reaxy-Rn: 3913212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3913212&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 Methionine 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: Methionine and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methionine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxygen compound - Organic oxide - Amine - Hydrochloride - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine 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

• Molecular Weight: 199.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 199.043 Da
• Monoisotopic Mass: 199.043 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3