Ethylenediaminetetraacetic Acid Tetrasodium Salt Dihydrate - AR, ≥99%(T) , CAS No.10378-23-1

CAS: 10378-23-1 Cat. No.: E109307 Molecular Weight: 416.2 Beilstein Registry Number: 3861753 EC Number: 600-485-4

GRADE & PURITY AR, ≥99%(T)

Synonyms

Sodium 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetate dihydrate | tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate dihydrate | Tetrasodium ethylenediaminetetraacetate dihydrate | AT28662 | GLYCINE, N,N'-1,2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Sodium 2, 2', 2'', 2'''-(ethane-1, 2-diylbis(azanetriyl))tetraacetate dihydrate | tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate dihydrate | Tetrasodium ethylenediaminetetraacetate dihydrate | AT28662 | GLYCINE, N, N'-1, 2

Specifications & Purity

AR, ≥99%(T)

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥99%(T)

Names and Identifiers

• Pubchem Sid: 488199970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199970
• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
• InChIKey: KSYNLCYTMRMCGG-UHFFFAOYSA-J
• INCHI: 1S/C10H16N2O8.4Na.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;4*+1;;/p-4
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Na+].[Na+]
• WGK Germany: 2
• Alternate CAS: 64-02-8
• Molecular Weight: 416.2
• Beilstein: 3861753
• Reaxy-Rn: 14193382
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14193382&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 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 - Amino acid - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Organic alkali metal salt - Organic sodium salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic salt - Organic zwitterion - 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: Solubility in Water almost transparency
• Melt Point(°C): 300°C
• Molecular Weight: 416.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 416.04 Da
• Monoisotopic Mass: 416.04 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 26
• 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: 7

XLogP3

References

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