N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid - BioReagent, ≥98% , CAS No.150-39-0

CAS: 150-39-0 Cat. No.: N755593 Molecular Weight: 278.26 Beilstein Registry Number: 1804795 EC Number: 205-759-3

GRADE & PURITY BioReagent, ≥98%

Storage

Room temperature

Shipped In

Normal

Overview

N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid (HEDTA) is a chelating agent that is used to form complexes with metal ions such as iron(II), zinc(II), manganese(II) and uranium(VI) ions. It can also be used to prepare fluorescent carbon dots (CDs).

Specifications

Specifications & Purity

BioReagent, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

BioReagent

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O
• IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid
• InChIKey: URDCARMUOSMFFI-UHFFFAOYSA-N
• INCHI: 1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)
• Isomeric SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O
• RTECS: MB9185000
• Molecular Weight: 278.26
• Beilstein: 1804795
• Reaxy-Rn: 1804795
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1804795&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Tricarboxylic acids and derivatives Trialkylamines Amino acids 1,2-aminoalcohols Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Tricarboxylic acid or derivatives - 1,2-aminoalcohol - Amino acid - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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: 3 M NaOH: 0.1 M, clear, colorless
• Melt Point(°C): 212-214°C
• Molecular Weight: 278.260 g/mol
• XLogP3: -6.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 278.111 Da
• Monoisotopic Mass: 278.111 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 305.000
• 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

References

1. Yan Li, Haoxiang Zhang, Yiwen Su, Yuhan Zou, Wenyi Guo, Changpeng Qiao, Guangping Zheng, Qilu Li, Lai Xu, Jingyu Sun.  (2024)  Concurrent Regulation of Surface Topography and Interfacial Physicochemistry via Trace Chelation Acid Additives toward Durable Zn Anodes.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202417462]

2. Wenqing Zhang, Hao Zhu, Wenjie Xie, Chuanyuan Du, Xiuqiang Fang, Ruiming Zhang, Xiaosong Hu, Yawei Lin.  (2024)  Highly sensitive analysis of fatty aldehydes in vegetable oils using a novel coumarin-based fluorescent probe by HPLC for quality control.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.111180]

3. Qingping Zhang, Yang Xu, Haiqing Hao, Zhongxiang Guan, Meng Wang, Zongyu Feng, Xiaowei Huang, Guang Yang, Chunmei Wang.  (2025)  One-stop decomplexation of Cu-EDTA and Cu capture in rare earth purification wastewater using NdFeB waste/H2O2 system: Performance, mechanism, and application.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163856]