Potassium azeloyl diglycinate - ≥99% , CAS No.477773-67-4

CAS: 477773-67-4 Cat. No.: P963032 Molecular Weight: 340.410 EC Number: 686-756-8

GRADE & PURITY ≥99%

Storage

Room temperature

Specifications

Specifications & Purity

≥99%

Storage

Room temperature

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C(CCCC(=O)NCC(=O)O)CCCC(=O)NCC(=O)[O-].[K+]
• IUPAC Name: potassium;2-[[9-(carboxymethylamino)-9-oxononanoyl]amino]acetate
• InChIKey: HOZMBDKPRFLCKN-UHFFFAOYSA-M
• INCHI: 1S/C13H22N2O6.K/c16-10(14-8-12(18)19)6-4-2-1-3-5-7-11(17)15-9-13(20)21;/h1-9H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21);/q;+1/p-1
• Molecular Weight: 340.410

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
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• 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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: N-acyl amines Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acid salts Carboxylic acids Organonitrogen compounds Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxylic acid - Organic alkali metal salt - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic 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: 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: 340.410 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 340.104 Da
• Monoisotopic Mass: 340.104 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 376.000
• 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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