Ethylenediaminetetraacetic acid iron sodium salt hydrate - 12.0-14.5% Fe basis , CAS No.149022-26-4

CAS: 149022-26-4 Cat. No.: E105029 Molecular Weight: 367.05(as Anhydrous) EC Number: 683-382-7 PubChem CID: 16212308

GRADE & PURITY 12.0-14.5% Fe basis

Synonyms

DTXSID90583610 | ethylenediaminetetraaceticacidhydrateiron(iii)sodiumsalt | Ethylenediaminetetraacetic acid iron(III) sodium salt hydrate | Ethylenediaminetetraacetic acid, iron(III) sodium salt hydrate | Iron(3+) sodium 2,2',2'',2'''-(ethane-1,2-diyldini

Storage

Room temperature

Shipped In

Normal

Overview

Ethylenediaminetetraacetic acid iron(III) sodium salt hydrate is used in large-volume stacking with electroosmotic flow pump (LVSEP) and in the remediation of contaminated groundwater

Specifications

Synonyms

DTXSID90583610 | ethylenediaminetetraaceticacidhydrateiron(iii)sodiumsalt | Ethylenediaminetetraacetic acid iron(III) sodium salt hydrate | Ethylenediaminetetraacetic acid, iron(III) sodium salt hydrate | Iron(3+) sodium 2, 2', 2'', 2'''-(ethane-1, 2-diyldini

Specifications & Purity

12.0-14.5% Fe basis

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488199151
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199151
• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Fe+3]
• IUPAC Name: sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);hydrate
• InChIKey: QENAFDOIABJELJ-UHFFFAOYSA-J
• INCHI: 1S/C10H16N2O8.Fe.Na.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;+3;+1;/p-4
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Fe+3]
• WGK Germany: 3
• RTECS: AH4900000
• PubChem CID: 16212308
• Molecular Weight: 367.05(as Anhydrous)
• Reaxy-Rn: 10751063

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 Organic transition metal salts Carboxylic acids Organopnictogen compounds Organic zwitterions Organic sodium 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 - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organic transition metal salt - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic zwitterion - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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 and acid.
• Sensitivity: Moisture sensitive.
• Molecular Weight: 385.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 384.995 Da
• Monoisotopic Mass: 384.995 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 23
• 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: 4

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