Ethylenediaminetetraacetic Acid Disodium Zinc Salt Hydrate - ≥98% , CAS No.14025-21-9

CAS: 14025-21-9 Cat. No.: I113360 Molecular Weight: 399.57(as Anhydrous) EC Number: 237-865-0

GRADE & PURITY ≥98%

Synonyms

Ethylenediaminetetraacetic Acid Disodium Zinc Salt | Disodium Zinc EDTA Hydrate | EDTA disodium zinc salt | ethylenediaminetetraacetic acid zinc*disodium | Sequestrene Na2Zn zinc chelate | SODIUM ((ETHYLENEDINITRILO)TETRAACETATO)ZINCATE | disodium zinc(II

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Ethylenediaminetetraacetic Acid Disodium Zinc Salt | Disodium Zinc EDTA Hydrate | EDTA disodium zinc salt | ethylenediaminetetraacetic acid zinc*disodium | Sequestrene Na2Zn zinc chelate | SODIUM ((ETHYLENEDINITRILO)TETRAACETATO)ZINCATE | disodium zinc(II

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183375
• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Zn+2]
• IUPAC Name: disodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
• InChIKey: UBLOJEHIINPTTG-UHFFFAOYSA-J
• INCHI: 1S/C10H16N2O8.2Na.Zn/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);;;/q;2*+1;+2/p-4
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Zn+2]
• WGK Germany: 3
• Alternate CAS: 39208-16-7；12519-36-7
• Molecular Weight: 399.57(as Anhydrous)
• Reaxy-Rn: 16035472
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16035472&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 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: Solubile in Water
• Molecular Weight: 399.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 397.968 Da
• Monoisotopic Mass: 397.968 Da
• Topological Polar Surface Area: 167.000 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

XLogP3

References

1. Meng Xu, Mengjiao Liu, Linlin Si, Qingxu Ma, Tao Sun, Jun Wang, Kaijun Chen, Xiangjie Wang, Lianghuan Wu.  (2021)  Spraying high concentrations of chelated zinc enhances zinc biofortification in wheat grain.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  102  (9): (3590-3598).  [PMID:34862638] [10.1002/jsfa.11705]

2. Shukai Yu, Ning Sun, Longfeng Hu, Le Wang, Qizhen Zhu, Yibiao Guan, Bin Xu.  (2018)  Self-template and self-activation synthesis of nitrogen-doped hierarchical porous carbon for supercapacitors.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2018.10.033]

3. Renhui Ling, Mingxing Li, Xin Li, Laihuan Pei, Xiaoyan Luo, Congmin Wang.  (2024)  Self-Repairing [MEDTA]2- functionalized poly(ionic liquid)s in the application of NH3 adsorption through reversible NH3 insertion.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150793]