(S)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate hydrochloride - ≥95% , CAS No.127369-30-6

CAS: 127369-30-6 Cat. No.: S586892 Peso molecular: 217.65 Número EC: 880-806-4

GRADE & PURITY ≥95%

Synonyms

(S)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate hydrochloride | DTXSID70528781 | (S)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate HCl ee | UYCKVJUNDXPDJH-QRPNPIFTSA-N | A851447 | (S)-Methyl2-amino-2-(4-hydroxyphenyl)acetatehydrochloride | Benzeneacetic acid, a

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(S)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate hydrochloride | DTXSID70528781 | (S)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate HCl ee | UYCKVJUNDXPDJH-QRPNPIFTSA-N | A851447 | (S)-Methyl2-amino-2-(4-hydroxyphenyl)acetatehydrochloride | Benzeneacetic acid, a

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C(C1=CC=C(C=C1)O)N.Cl
• IUPAC Name: methyl (2S)-2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride
• InChIKey: UYCKVJUNDXPDJH-QRPNPIFTSA-N
• INCHI: 1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m0./s1
• Isómeros SMILES: COC(=O)[C@H](C1=CC=C(C=C1)O)N.Cl
• Peso molecular: 217.65
• Reaxy-Rn: 7664860
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7664860&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: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Hydrochloride - 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: 217.650 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.051 Da
• Monoisotopic Mass: 217.051 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 176.000
• 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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