Ethylenediaminetetraacetic acid tetrasodium salt hydrate(EDTA) - ≥95% , CAS No.194491-31-1

CAS: 194491-31-1 Cat. No.: B301167 Molecular Weight: 380.17 (anhydrous basis) EC Number: 681-514-8

GRADE & PURITY ≥95%

Synonyms

EDTA sodium | EDTA | Sodium edetate | Edetate sodium

Storage

Room temperature

Shipped In

Normal

Overview

Product Application:

Ethylenediaminetetraacetic acid tetrasodium salt hydrate is used as an inhibitor of metal ligand proteases. It also acts as a chelator of zinc ion in the active site of metalloproteases. It is used as an anticoagulant and also used in the fluorometric determination of beryllium.

Specifications

Synonyms

EDTA sodium | EDTA | Sodium edetate | Edetate sodium

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate
• InChIKey: GXFFSKMBMYHTAE-UHFFFAOYSA-J
• INCHI: 1S/C10H16N2O8.4Na.H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;1H2/q;4*+1;/p-4
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]
• Alternate CAS: 64-02-8
• Molecular Weight: 380.17 (anhydrous basis)
• Reaxy-Rn: 14919268
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14919268&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Trialkylamines Carboxylic acid salts Amino acids Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Alpha-amino acid or derivatives - Alpha-amino acid - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Amino acid or derivatives - Organic alkali metal salt - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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

• Solubility: Soluble in water.
• Melt Point(°C): >300°C
• Molecular Weight: 398.190 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 398.029 Da
• Monoisotopic Mass: 398.029 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 293.000
• 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: 6

XLogP3

References

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