clorhidrato de éster metílico de 3-cloro-D-alanina - ≥97% , CAS No.112346-82-4

CAS: 112346-82-4 Cat. No.: S134256 Peso molecular: 174.03 Número EC: 694-452-1

GRADE & PURITY ≥97%

Synonyms

D-Alanine, 3-chloro-, methyl ester, hydrochloride | (S)-Methyl 2-amino-3-chloropropanoate hydrochloride | 3-CHLORO-D-ALANINE METHYL ESTER HCL | BCP04711 | AS-49257 | METHYL (2S)-2-AMINO-3-CHLOROPROPANOATE HYDROCHLORIDE | MFCD00066119 | (S)-Methyl2-amino-3

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

D-Alanine, 3-chloro-, methyl ester, hydrochloride | (S)-Methyl 2-amino-3-chloropropanoate hydrochloride | 3-CHLORO-D-ALANINE METHYL ESTER HCL | BCP04711 | AS-49257 | METHYL (2S)-2-AMINO-3-CHLOROPROPANOATE HYDROCHLORIDE | MFCD00066119 | (S)-Methyl2-amino-3

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504767319
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767319
• Sonrisas canónicas: COC(=O)C(CCl)N.Cl
• IUPAC Name: methyl (2S)-2-amino-3-chloropropanoate;hydrochloride
• InChIKey: POPBCSXDEXRDSX-AENDTGMFSA-N
• INCHI: 1S/C4H8ClNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H/t3-;/m1./s1
• Isómeros SMILES: COC(=O)[C@@H](CCl)N.Cl
• WGK Alemania: 3
• Peso molecular: 174.03
• Reaxy-Rn: 4151228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4151228&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: Methyl esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkyl chloride - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic 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

• Sensibilidad: Moisture sensitive. & heat sensitive&light sensitive
• Punto de fusión (°C): 143-148 °C
• Peso molecular: 174.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 173.001 Da
• Monoisotopic Mass: 173.001 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.100
• 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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