Ethylenediamine-N,N'-diacetic Acid（EDDA） - ≥98%(T) , CAS No.5657-17-0

CAS: 5657-17-0 Cat. No.: E156066 Peso molecular: 176.17 Beilstein Registry Number: 1778360 Número EC: 227-105-6

GRADE & PURITY ≥98%(T)

Synonyms

EDDA | Ethylenediamine-N,N'-diaceticacid | AMY38497 | C21397 | A869904 | Ethylene-N,N'-diglycine | N,N'-Ethylenediglycine | N,N-Ethylenediglycine | 2-[2-(carboxylatomethylazaniumyl)ethylazaniumyl]acetate | 2-[2-(carboxymethylamino)ethylamino]acetic acid |

Storage

Room temperature

Shipped In

Normal

Descripción general

Ethylenediamine-N,N′-diacetic acid (EDDA) can be used as a ligand to synthesize:

· Binary and ternary copper(II) complexes with potent proteasome inhibitory properties.

· Pd(EDDA) complexes which can coordinate with amino acids, peptides, or DNA units.

Specifications

Sinónimos

EDDA | Ethylenediamine-N, N'-diaceticacid | AMY38497 | C21397 | A869904 | Ethylene-N, N'-diglycine | N, N'-Ethylenediglycine | N, N-Ethylenediglycine | 2-[2-(carboxylatomethylazaniumyl)ethylazaniumyl]acetate | 2-[2-(carboxymethylamino)ethylamino]acetic acid |

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488183543
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183543
• Sonrisas canónicas: C(CNCC(=O)O)NCC(=O)O
• IUPAC Name: 2-[2-(carboxymethylamino)ethylamino]acetic acid
• InChIKey: IFQUWYZCAGRUJN-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
• Isómeros SMILES: C(CNCC(=O)O)NCC(=O)O
• WGK Alemania: 3
• Peso molecular: 176.17
• Beilstein: 1778360
• Reaxy-Rn: 1778355
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1778355&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: Dicarboxylic acids and derivatives Amino acids Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Dicarboxylic acid or derivatives - Amino acid - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - 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

• Solubilidad: Soluble in warm water.
• Sensibilidad: Heat sensitive
• Punto de fusión (°C): 200 °C(dec.)
• Peso molecular: 176.170 g/mol
• XLogP3: -6.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 176.08 Da
• Monoisotopic Mass: 176.08 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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: 1

Referencias

1. Wen-Long Xu, Jia-Yin Zhang, Ning-Ning Cheng, Zi-Liang Li, Hong-Chao Lan, Wen-Jing Jiang, Hai-Long Peng, Kuan Huang, Jun Du.  (2021)  Dispersing aminopolycarboxylate ionic liquids in mesoporous organic polymer for highly efficient and improved carbon capture from dilute source.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2021.116653]