Sodium 2-(2-aminophenyl)-2-oxoacetate - ≥95% , CAS No.17617-34-4

CAS: 17617-34-4 Cat. No.: S191583 Molecular Weight: 187.13

GRADE & PURITY ≥95%

Synonyms

F19858 | Sodium (2-aminophenyl)(oxo)acetate | Benzeneacetic acid, 2-amino-alpha-oxo-, sodium salt (1:1) | 1ON1IIE7ZX | C8H6NNaO3 | Sodium isatinate | BENZENEACETIC ACID, 2-AMINO-.ALPHA.-OXO-, SODIUM SALT | Benzeneacetic acid, 2-amino-alpha-oxo-, sodium sa

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

F19858 | Sodium (2-aminophenyl)(oxo)acetate | Benzeneacetic acid, 2-amino-alpha-oxo-, sodium salt (1:1) | 1ON1IIE7ZX | C8H6NNaO3 | Sodium isatinate | BENZENEACETIC ACID, 2-AMINO-.ALPHA.-OXO-, SODIUM SALT | Benzeneacetic acid, 2-amino-alpha-oxo-, sodium sa

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)C(=O)C(=O)[O-])N.[Na+]
• IUPAC Name: sodium;2-(2-aminophenyl)-2-oxoacetate
• InChIKey: XCFAFIKPWWFZPL-UHFFFAOYSA-M
• INCHI: 1S/C8H7NO3.Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4H,9H2,(H,11,12);/q;+1/p-1
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)C(=O)[O-])N.[Na+]
• Alternate CAS: 484-38-8
• Molecular Weight: 187.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Aniline and substituted anilines Alpha-keto acids and derivatives Vinylogous amides Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Aniline or substituted anilines - Aryl ketone - Alpha-keto acid - Keto acid - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic sodium salt - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Chemical and Physical Properties

• Sensitivity: light sensitive；Moisture sensitive
• Molecular Weight: 187.130 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.025 Da
• Monoisotopic Mass: 187.025 Da
• Topological Polar Surface Area: 83.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 208.000
• 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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