Ethylenediaminetetraacetic acid dipotassium salt dihydrate - AR, ≥98% , CAS No.25102-12-9

CAS: 25102-12-9 Cat. No.: E100258 Molecular Weight: 404.45 EC Number: 677-802-8

GRADE & PURITY AR, ≥98%

Synonyms

MFCD00150036 | Ethylenediaminetetraacetic acid dipotassium salt dihydrate | EDTA dipotassium salt | AS-81015 | EDTA dipotassium salt dihydrate | E75827 | dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate | dipotass

Storage

Room temperature

Shipped In

Normal

Overview

It is soluble in water and slightly soluble in alcohol, with a pH of approximately 5.3 in aqueous solution.

Complexing agents, calcium and magnesium reagents, and other metal reagents, metal masking agents.

Used for preparing anticoagulants, anticoagulation tubes, vacuum anticoagulation tubes, and compatible with whole blood analyzers.

Used to eliminate inhibition of enzymatic catalytic reactions caused by trace heavy metals

Specifications

Synonyms

MFCD00150036 | Ethylenediaminetetraacetic acid dipotassium salt dihydrate | EDTA dipotassium salt | AS-81015 | EDTA dipotassium salt dihydrate | E75827 | dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate | dipotass

Specifications & Purity

AR, ≥98%

Biochemical and Physiological Mechanisms

Ethylenediaminetetraacetic acid (EDTA) is an anticoagulant, majorly used in preventing clotting of blood. EDTA may trigger aggregation of platelets resulting in pseudothrombocytopenia. EDTA-tetracycline therapy decreases coronary artery calcium levels in

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[K+].[K+]
• IUPAC Name: dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
• InChIKey: JFROQFOCFOKDKU-UHFFFAOYSA-L
• INCHI: 1S/C10H16N2O8.2K.2H2O/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);;;2*1H2/q;2*+1;;/p-2
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[K+].[K+]
• WGK Germany: 3
• Alternate CAS: 2001-94-7
• Molecular Weight: 404.45

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 Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Organic alkali metal salt - Organic potassium salt - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organic zwitterion - Organic salt - 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.
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 272°C
• Molecular Weight: 404.450 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 404.024 Da
• Monoisotopic Mass: 404.024 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 340.000
• 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

XLogP3

References

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4. Ting Tai, Huan Zhou, Ting Zhu, Yu-Meng Jia, Jin-Zi Ji, Yi-Fei Li, Qiong-Yu Mi, Hong-Guang Xie.  (2019)  Development and validation of a UPLC–MS/MS method for simultaneous determination of vicagrel and its major metabolites in rat or human plasma: An optimized novel strategy for the stabilization of vicagrel.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:31866139] [10.1016/j.jpba.2019.112955]

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