N-(2-Hydroxyethyl)ethylenediaminetriacetic acid

Base Information

• Chemical Name: N-(2-Hydroxyethyl)ethylenediaminetriacetic acid
• CAS No.: 150-39-0
• Deprecated CAS: 125317-19-3,178394-29-1,178394-29-1
• Molecular Formula: C10H18N2O7
• Molecular Weight: 278.262
• Hs Code.: 29224999
• European Community (EC) Number: 205-759-3
• NSC Number: 7341
• UNII: R79J91U341
• DSSTox Substance ID: DTXSID1059737
• Nikkaji Number: J23.203C
• Wikipedia: Hydroxyethylethylenediaminetriacetic_acid
• Wikidata: Q23014132
• ChEMBL ID: CHEMBL1620428
• Mol file: 150-39-0.mol

Synonyms:Co-HEDTA;cobalt-HEDTA;Dy-HEDTA;dysprosium-HEDTA;HEDTA;HEDTA, calcium and sodium salt;HEDTA, calcium salt (1:1);HEDTA, sodium salt;HEDTA, tripotassium salt;HEDTA, trisodium salt;hydroxyethylethylenediaminetriacetic acid;N-(hydroxyethyl)ethylenediaminetriacetic acid;N-hydroxyethylenediaminetriacetic acid;TbHED3A;terbium-HEDTA

Chemical Property of N-(2-Hydroxyethyl)ethylenediaminetriacetic acid

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 1.72E-15mmHg at 25°C
• Melting Point: 212 °C (dec.)(lit.)
• Refractive Index: 1.4550 (estimate)
• Boiling Point: 572.5 °C at 760 mmHg
• PKA: pK1:2.39;pK2:5.37;pK3:9.93 (25°C)
• Flash Point: 300 °C
• PSA: 138.61000
• Density: 1.468 g/cm³
• LogP: -2.16350
• Storage Temp.: Store at RT.
• Solubility.: 3 M NaOH: 0.1 M, clear, colorless
• Water Solubility.: soluble
• XLogP3: -6.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 278.11140092
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

≥95% ^*data from raw suppliers

N-(2-Hydroxyethyl)ethylenediaminetriaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22-40-20/21/22
• Safety Statements: 26-37/39-36-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Chelating Agents
• Canonical SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O
• Uses: Chelating compound. N-(2-Hydroxyethyl)ethylenediaminetriacetic acid is a chelating agent.

Technology Process of N-(2-Hydroxyethyl)ethylenediaminetriacetic acid

There total 2 articles about N-(2-Hydroxyethyl)ethylenediaminetriacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + sodium cyanide (143-33-9,25596-52-5) + 2-(2-Aminoethylamino)ethanol (111-41-1) → N-(2-hydroxyethyl)ethylenediaminetriacetic acid (150-39-0)

Guidance literature:

With sodium hydroxide;

Reference yield:

→ N-(2-hydroxyethyl)ethylenediaminetriacetic acid (150-39-0)

Guidance literature:

Reference yield: 55.45%

N-(2-hydroxyethyl)ethylenediaminetriacetic acid (150-39-0) + 4-Nitrophthalonitrile (31643-49-9) → C18H20N4O7

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 50 ℃; for 48.25h; Inert atmosphere;

DOI:10.1080/00958972.2019.1680832

upstream raw materials:

formaldehyd

sodium cyanide

2-(2-Aminoethylamino)ethanol

Refernces

• 1、 -. "Therapeutic and diagnostic ligand systems comprising transport molecule binding properties and medicaments containing the same". . . Retrieved 2008/06/13.
• 2、 -. "Iron chelate solutions". . . Retrieved 2008/06/13.