L-Alanine Benzyl Ester Hydrochloride - ≥98%(HPLC) , CAS No.5557-83-5

CAS: 5557-83-5 Cat. No.: L133915 Peso molecular: 215.68 Número EC: 226-920-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

(S)-Benzyl 2-aminopropanoate Hydrochloride | A830708 | alanine benzyl ester hydrochloride salt | CHEBI:51071 | AKOS015844347 | J-300008 | (2S)-2-aminopropanoic acid (phenylmethyl) ester hydrochloride | cinnamic acid imidazolide | NH2-Ala-OBn HCl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

L-Alanine benzyl ester (ALAB) may be used as an organic reagent and as a cationic charge inducer in microemulsions.

Specifications

Sinónimos

(S)-Benzyl 2-aminopropanoate Hydrochloride | A830708 | alanine benzyl ester hydrochloride salt | CHEBI:51071 | AKOS015844347 | J-300008 | (2S)-2-aminopropanoic acid (phenylmethyl) ester hydrochloride | cinnamic acid imidazolide | NH2-Ala-OBn HCl

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC(C(=O)OCC1=CC=CC=C1)N.Cl
• IUPAC Name: benzyl (2S)-2-aminopropanoate;hydrochloride
• InChIKey: RLMHWGDKMJIEHH-QRPNPIFTSA-N
• INCHI: 1S/C10H13NO2.ClH/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;/h2-6,8H,7,11H2,1H3;1H/t8-;/m0./s1
• Isómeros SMILES: C[C@@H](C(=O)OCC1=CC=CC=C1)N.Cl
• Peso molecular: 215.68
• Reaxy-Rn: 4767466
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4767466&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 Benzyloxycarbonyls Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - 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

• Solubilidad: Soluble in water
• Sensibilidad: Heat & Moisture sensitive
• Rotación específica [α]: -10° (C=1,0.1mol/L HCl)
• Punto de fusión (°C): 138 °C
• Peso molecular: 215.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.071 Da
• Monoisotopic Mass: 215.071 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 164.000
• 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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