Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate hydrochloride - ≥99% , CAS No.1243308-37-3

CAS: 1243308-37-3 Cat. No.: E302286 Molecular Weight: 265.09 EC Number: 860-082-6 PubChem CID: 66744879

GRADE & PURITY ≥99%

Synonyms

C9H10Cl2N2O3 | Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate hydrochloride | AC-33548 | SY277674 | ethyl [(5-chloropyridin-2-yl)carbamoyl]formate hydrochloride | DS-9233 | MFCD28502492 | Ethyl 2-[(5-Chloropyridin-2-yl)amino]-2-oxoacetate Hydrochlorid

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

C9H10Cl2N2O3 | Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate hydrochloride | AC-33548 | SY277674 | ethyl [(5-chloropyridin-2-yl)carbamoyl]formate hydrochloride | DS-9233 | MFCD28502492 | Ethyl 2-[(5-Chloropyridin-2-yl)amino]-2-oxoacetate Hydrochlorid

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504771853
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771853
• Canonical Smiles: CCOC(=O)C(=O)NC1=NC=C(C=C1)Cl.Cl
• IUPAC Name: ethyl 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate;hydrochloride
• InChIKey: AZWJPQKNPCTYCU-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClN2O3.ClH/c1-2-15-9(14)8(13)12-7-4-3-6(10)5-11-7;/h3-5H,2H2,1H3,(H,11,12,13);1H
• Isomeric SMILES: CCOC(=O)C(=O)NC1=NC=C(C=C1)Cl.Cl
• PubChem CID: 66744879
• Molecular Weight: 265.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: N-arylamides Pyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-arylamide - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

• Molecular Weight: 265.090 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 264.007 Da
• Monoisotopic Mass: 264.007 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 248.000
• 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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