p-Hydroxyphénylacétylglycine - ≥97% , CAS No.28116-23-6

CAS: 28116-23-6 Cat. No.: P355735 Formule: C₁₀H₁₁NO₄ Poids moléculaire: 209.2 Numéro CE: 110-705-6 PubChem CID: 440732

GRADE & PURITY ≥97%

Synonyms

DTXSID10331519 | [2-(4-Hydroxy-phenyl)-acetyl amino]-acetic acid | N-[(4-hydroxyphenyl)acetyl]glycine | N-[(4-hydroxyphenyl)acetyl]-Glycine | EN300-65253 | F73739 | Hydroxyphenylacetylglycine | CHEBI:28595 | [[(4-Hydroxyphenyl)acetyl]amino]acetic acid | 4

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

DTXSID10331519 | [2-(4-Hydroxy-phenyl)-acetyl amino]-acetic acid | N-[(4-hydroxyphenyl)acetyl]glycine | N-[(4-hydroxyphenyl)acetyl]-Glycine | EN300-65253 | F73739 | Hydroxyphenylacetylglycine | CHEBI:28595 | [[(4-Hydroxyphenyl)acetyl]amino]acetic acid | 4

Spécifications et pureté

≥97%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504758737

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758737

Sourires canoniques

C1=CC(=CC=C1CC(=O)NCC(=O)O)O

IUPAC Name

2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid

InChIKey

CPPDWYIPKSSNNM-UHFFFAOYSA-N

INCHI

1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)

Isomères SMILES

C1=CC(=CC=C1CC(=O)NCC(=O)O)O

PubChem CID

440732

Poids moléculaire

209.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - Phenylacetamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: monocarboxylic acid - monocarboxylic acid amide - N-acylglycine

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

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO (slightly), and methanol (slightly).
• Sensibilité: Moisture sensitive.
• Indice de réfraction: n20D1.59 (Predicted)
• Point d'ébullition (°C): ~563.0° C at 760 mmHg (Predicted)
• Point de fusion (°C): >144° C
• Poids moléculaire: 209.200 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.069 Da
• Monoisotopic Mass: 209.069 Da
• Topological Polar Surface Area: 86.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 28116-23-6, the molecular formula is C10H11NO4, and the molecular weight is 209.2 g/mol. InChIKey CPPDWYIPKSSNNM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.