H-Cys(Bzl)-OMe.HCl - ≥98% , CAS No.16741-80-3

CAS: 16741-80-3 Cat. No.: C100443 Peso molecular: 261.77 Número EC: 240-803-5

GRADE & PURITY ≥98%

Synonyms

(R)-Methyl 2-amino-3-(benzylthio)propanoate hydrochloride | h-cys(bzl)-ome.hcl | FD21334 | HY-W011773 | methyl (2R)-2-amino-3-benzylsulfanylpropanoate;hydrochloride | S-Benzyl-L-cysteine methyl ester hydrochloride | AKOS016003395 | Cys(Bzl)-OMe.HCl | DS-1

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(R)-Methyl 2-amino-3-(benzylthio)propanoate hydrochloride | h-cys(bzl)-ome.hcl | FD21334 | HY-W011773 | methyl (2R)-2-amino-3-benzylsulfanylpropanoate;hydrochloride | S-Benzyl-L-cysteine methyl ester hydrochloride | AKOS016003395 | Cys(Bzl)-OMe.HCl | DS-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770529
• Sonrisas canónicas: COC(=O)C(CSCC1=CC=CC=C1)N.Cl
• IUPAC Name: methyl (2R)-2-amino-3-benzylsulfanylpropanoate;hydrochloride
• InChIKey: QVJDVOZRQMIIHP-PPHPATTJSA-N
• INCHI: 1S/C11H15NO2S.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1
• Isómeros SMILES: COC(=O)[C@H](CSCC1=CC=CC=C1)N.Cl
• WGK Alemania: 3
• Peso molecular: 261.77
• Reaxy-Rn: 3918390
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3918390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Cysteine and derivatives Benzene and substituted derivatives Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Cysteine or derivatives - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Hydrochloride - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Propiedades químicas y físicas

• Peso molecular: 261.769 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 261.059 Da
• Monoisotopic Mass: 261.059 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 16
• 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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