N-Phenylglycine potassium salt - ≥98%(HPLC) , CAS No.19525-59-8

CAS: 19525-59-8 Cat. No.: N133268 Peso molecular: 189.26

GRADE & PURITY ≥98%(HPLC)

Synonyms

FT-0637868 | HY-W015219 | potassium 2-(phenylamino)acetate | potassium anilinoacetate | SCHEMBL4091648 | NCGC00257284-01 | Q-101363 | BCP02967 | DTXCID707806 | Glycine, N-phenyl-, monopotassium salt | Tox21_303539 | BCP9000284 | MFCD00058994 | Potassium N

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FT-0637868 | HY-W015219 | potassium 2-(phenylamino)acetate | potassium anilinoacetate | SCHEMBL4091648 | NCGC00257284-01 | Q-101363 | BCP02967 | DTXCID707806 | Glycine, N-phenyl-, monopotassium salt | Tox21_303539 | BCP9000284 | MFCD00058994 | Potassium N

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)NCC(=O)[O-].[K+]
• IUPAC Name: potassium;2-anilinoacetate
• InChIKey: JINONCVJYBHUCP-UHFFFAOYSA-M
• INCHI: 1S/C8H9NO2.K/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);/q;+1/p-1
• Isómeros SMILES: C1=CC=C(C=C1)NCC(=O)[O-].[K+]
• Peso molecular: 189.26
• Reaxy-Rn: 6754636
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6754636&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: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Organic alkali metal salt - Organic zwitterion - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic potassium salt - 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: 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

• Sensibilidad: Heat sensitive,Hygroscopic
• Peso molecular: 189.250 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 189.019 Da
• Monoisotopic Mass: 189.019 Da
• Topological Polar Surface Area: 52.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 135.000
• 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: 2

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