N-(2-Hydroxyethyl)ethylenediaminetriacetic acid trisodium salt hydrate - ≥99% , CAS No.207386-87-6

CAS: 207386-87-6 Cat. No.: I168475 Peso molecular: 344.20 (anhydrous basis) Número EC: 683-616-8

GRADE & PURITY ≥99%

Synonyms

Glycine, N-(2-(bis(carboxymethyl)amino)ethyl)-N-(2-hydroxyethyl)-, trisodium salt hydrate | Sodium 2,2'-((2-((carboxylatomethyl)(2-hydroxyethyl)amino)ethyl)azanediyl)diacetate hydrate | sodium 2,2'-(2-((carboxylatomethyl)(2-hydroxyethyl)amino)ethylazanedi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Glycine, N-(2-(bis(carboxymethyl)amino)ethyl)-N-(2-hydroxyethyl)-, trisodium salt hydrate | Sodium 2, 2'-((2-((carboxylatomethyl)(2-hydroxyethyl)amino)ethyl)azanediyl)diacetate hydrate | sodium 2, 2'-(2-((carboxylatomethyl)(2-hydroxyethyl)amino)ethylazanedi

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488199096
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199096
• Sonrisas canónicas: O.[Na+].[Na+].[Na+].OCCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
• IUPAC Name: trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;hydrate
• InChIKey: FHGJYTNPLCNRLG-UHFFFAOYSA-K
• INCHI: 1S/C10H18N2O7.3Na.H2O/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;;1H2/q;3*+1;/p-3
• Isómeros SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].O.[Na+].[Na+].[Na+]
• WGK Alemania: 2
• CAS alternativo: 139-89-9；150-39-0
• Peso molecular: 344.20 (anhydrous basis)
• Reaxy-Rn: 33734468
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33734468&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: Tricarboxylic acids and derivatives Trialkylamines Carboxylic acid salts Amino acids 1,2-aminoalcohols Carboxylic acids Primary alcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Tricarboxylic acid or derivatives - 1,2-aminoalcohol - Carboxylic acid salt - Amino acid - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Carboxylic acid - Organic alkali metal salt - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organic sodium salt - Organic zwitterion - Organic salt - Aliphatic acyclic 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 288 °C (dec.) (lit.)
• Peso molecular: 362.220 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 362.068 Da
• Monoisotopic Mass: 362.068 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 288.000
• 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: 5

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