(4-Hydroxyphenyl)glycine - ≥97% , CAS No.938-97-6

CAS: 938-97-6 Cat. No.: A305005 Peso molecular: 167.17 Número EC: 213-353-2

GRADE & PURITY ≥97%

Synonyms

2-amino-2-(4-hydroxyphenyl)acetic acid | 2-amino-2-(4-hydroxyphenyl)-acetic acid | Benzeneacetic acid, .alpha.-amino-4-hydroxy-, (.alpha.R)- | FT-0630187 | J-507748 | NSC30081 | NSC-30081 | DTXSID0023088 | AB00341 | amino(4-hydroxyphenyl)ethanoic acid | p

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

(4-Hydroxyphenyl)glycine, is a key intermediate for the synthesis Cefpiramide , used as a β-lactam antibiotic.

Specifications

Sinónimos

2-amino-2-(4-hydroxyphenyl)acetic acid | 2-amino-2-(4-hydroxyphenyl)-acetic acid | Benzeneacetic acid, .alpha.-amino-4-hydroxy-, (.alpha.R)- | FT-0630187 | J-507748 | NSC30081 | NSC-30081 | DTXSID0023088 | AB00341 | amino(4-hydroxyphenyl)ethanoic acid | p

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504756103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756103
• Sonrisas canónicas: C1=CC(=CC=C1C(C(=O)O)N)O
• IUPAC Name: 2-amino-2-(4-hydroxyphenyl)acetic acid
• InChIKey: LJCWONGJFPCTTL-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)
• Isómeros SMILES: C1=CC(=CC=C1C(C(=O)O)N)O
• Peso molecular: 167.17
• Reaxy-Rn: 513130
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=513130&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 acids

• 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 acids
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxide - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: a small molecule

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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pdk1 Pyruvate dehydrogenase kinase (250 Activities)

Discover Target: Pdk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO (Very Slightly, Heated), Water (Slightly, Heated, Sonicated)
• Punto de inflamación (°C): 223.7°C
• Punto de ebullición (°C): 446.3°C
• Peso molecular: 167.160 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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: 1

Referencias

1. Chunmiao Bo, Xuyan Quan, Yan Li, Weilong Zhao, Shengwei Guo.  (2025)  Polyvinylcaprolactam Functional Carbon Dots on Silica as Green Stationary Phase for Per Aqueous Liquid Chromatography.  Separation Science Plus,  8  (9): (e70121).  [PMID:] [10.1002/sscp.70121]