Clorhidrato de éster metílico de DL-alanina - ≥98% , CAS No.13515-97-4

CAS: 13515-97-4 Cat. No.: A116955 Peso molecular: 139.58 Número EC: 236-854-8

GRADE & PURITY ≥98%

Synonyms

monohidrocloruro de 2-aminopropanato de metilo | NSC29729 | NSC-29729 | H-DL-Ala-OMe.HCl | W-108273 | SCHEMBL248769 | DTXSID80928899 | AI3-28808 | Hidrocloruro de éster metílico de l-alanina | Hidrocloruro de L-alaninato de metilo | Hidrocloruro de DL-ala

Storage

Conservar a 2-8°C,Cargado con argón,Desecado

Shipped In

Hielo húmedo

Specifications

Sinónimos

monohidrocloruro de 2-aminopropanato de metilo | NSC29729 | NSC-29729 | H-DL-Ala-OMe.HCl | W-108273 | SCHEMBL248769 | DTXSID80928899 | AI3-28808 | Hidrocloruro de éster metílico de l-alanina | Hidrocloruro de L-alaninato de metilo | Hidrocloruro de DL-ala

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Cargado con argón, Desecado

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761469
• Sonrisas canónicas: CC(C(=O)OC)N.Cl
• IUPAC Name: methyl 2-aminopropanoate;hydrochloride
• InChIKey: IYUKFAFDFHZKPI-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H
• Isómeros SMILES: CC(C(=O)OC)N.Cl
• CAS alternativo: 7625-53-8
• Peso molecular: 139.58
• Reaxy-Rn: 3619264
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3619264&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: Alanine and derivatives Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - 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

• Solubilidad: Soluble in water; Soluble in Methanol
• Sensibilidad: Hygroscopic.
• Punto de fusión (°C): 158 °C
• Peso molecular: 139.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.04 Da
• Monoisotopic Mass: 139.04 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.100
• 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

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