Ethylenediaminetetraacetic Dianhydride - ≥98% , CAS No.23911-25-3

CAS: 23911-25-3 Cat. No.: E129094 Molecular Weight: 256.21 EC Number: 629-234-7

GRADE & PURITY ≥98%

Synonyms

EDTA dianhydride | 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione | 4,4'-(ethane-1,2-diyl)bis(morpholine-2,6-dione) | Ethylenediaminetetraacetic dianhydride | 2,6-Morpholinedione, 4,4'-(1,2-ethanediyl)bis-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Ethylenediaminetetraacetic dianhydride (EDTAD) is a ramification of ethylenediaminetetraacetate (EDTA), which consists of two anhydride groups that can react with the hydroxyl and the amino groups. It is a biodegradable compound that is used as a chelating agent.

Specifications

Synonyms

EDTA dianhydride | 4-[2-(2, 6-dioxomorpholin-4-yl)ethyl]morpholine-2, 6-dione | 4, 4'-(ethane-1, 2-diyl)bis(morpholine-2, 6-dione) | Ethylenediaminetetraacetic dianhydride | 2, 6-Morpholinedione, 4, 4'-(1, 2-ethanediyl)bis-

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(=O)OC(=O)CN1CCN2CC(=O)OC(=O)C2
• IUPAC Name: 4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione
• InChIKey: POLIXZIAIMAECK-UHFFFAOYSA-N
• INCHI: 1S/C10H12N2O6/c13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12/h1-6H2
• Isomeric SMILES: C1C(=O)OC(=O)CN1CCN2CC(=O)OC(=O)C2
• WGK Germany: 3
• Molecular Weight: 256.21
• Reaxy-Rn: 1221025
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1221025&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 and derivatives Morpholines Carboxylic acid anhydrides Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Alpha-amino acid or derivatives - Morpholine - Oxazinane - Carboxylic acid anhydride - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic 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

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 190°C
• Molecular Weight: 256.209 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 256.07 Da
• Monoisotopic Mass: 256.07 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 337.000
• 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: 1

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