Trisodium nitrilotriacetate(NTA) - ≥99% , CAS No.5064-31-3

CAS: 5064-31-3 Cat. No.: T189148 Molecular Weight: 257.08 EC Number: 225-768-6 PubChem CID: 21152

GRADE & PURITY ≥99%

Synonyms

NTA | Trisodium NTA | AKOS025295393 | HY-W127847 | Nitrilotriacetate trisodium salt | N0101 | DTXSID8027587 | Hampshire NTA | Hampshire NTA 150 | HSDB 1013 | Triglycollamic Acid Trisodium Salt | TRISODIUM NTA [INCI] | Glycine, N,N-bis(carboxymethyl)-, sod

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

NTA | Trisodium NTA | AKOS025295393 | HY-W127847 | Nitrilotriacetate trisodium salt | N0101 | DTXSID8027587 | Hampshire NTA | Hampshire NTA 150 | HSDB 1013 | Triglycollamic Acid Trisodium Salt | TRISODIUM NTA [INCI] | Glycine, N, N-bis(carboxymethyl)-, sod

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488182672
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182672
• Canonical Smiles: C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;2-[bis(carboxylatomethyl)amino]acetate
• InChIKey: DZCAZXAJPZCSCU-UHFFFAOYSA-K
• INCHI: 1S/C6H9NO6.3Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3
• Isomeric SMILES: C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
• WGK Germany: 2
• RTECS: MB8400000
• Alternate CAS: 18662-53-8
• PubChem CID: 21152
• Molecular Weight: 257.08

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 Carboxylic acid salts Amino acids Carboxylic acids Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Tricarboxylic acid or derivatives - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organic alkali metal salt - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic sodium salt - Organic nitrogen compound - 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

• Sensitivity: Hygroscopic
• Molecular Weight: 257.079 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 256.989 Da
• Monoisotopic Mass: 256.989 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 171.000
• 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. Ting Chen, Pengfei Liu, Tianxiao Liu, Xueyuan Li, Huihui Wang, Tingwei He, Zhiyong Liu.  (2023)  Three birds with one stone: Nitrilotriacetic acid interface anchoring helps prepare efficient and stable perovskite solar cells.  CURRENT APPLIED PHYSICS,      [PMID:] [10.1016/j.cap.2023.11.014]

2. Yu Chen, Yajing Li, Yongjian Wang, Igor Ying Zhang, Rongfu Huang.  (2023)  Efficient removal of recalcitrant naphthenic acids with electro-cocatalytic activation of peroxymonosulfate by Fe(III)-nitrilotriacetic acid complex under neutral initial pH condition.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37196437] [10.1016/j.jhazmat.2023.131524]

3. Yufan Yuan, Fangling Guan, Chenglong Yu, Danping Li, Faying Lai, Huajun Huang, Jinbao He, Yanpeng Gao, Hansun Fang.  (2022)  Organic ligands activate the dark formation of hydroxyl radicals (HO•) in surface soil/sediment: Yields, mechanisms, and applications.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36603429] [10.1016/j.jhazmat.2022.130710]

4. Chenhu Zhang, Haijun Wu, Wei Sun, Yuehua Hu, Chengyong Wang, Shan Zhu, Peng Chen, Weili Ding, Lingling Ren.  (2022)  Selective adsorption of trisodium nitrilotriacetate on calcite and its application for the separation of fluorite minerals.  MINERALS ENGINEERING,      [PMID:] [10.1016/j.mineng.2022.107703]

5. Qiu Zhang, Zhanbin Jin, Fengyan Li, Zhinan Xia, Yi Yang, Lin Xu.  (2019)  First application of CoO nanorods as efficient counter electrode for quantum dots-sensitized solar cells.  SOLAR ENERGY MATERIALS AND SOLAR CELLS,      [PMID:] [10.1016/j.solmat.2019.110307]

6. Chuanlai Jiao, Mehboob Hassan, Xiangjie Bo, Ming Zhou.  (2018)  Co0.5Ni0.5P nanoparticles embedded in carbon layers for efficient electrochemical water splitting.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2018.06.008]

7. Yihua Chen, Jiaxin Zhu, Hang Ma, Yurong Gu, Tongzhou Liu.  (2024)  Fe2+-NTA synergized UV254 photolytic defluorination of perfluorooctane sulfonate (PFOS): Enhancing through intramolecular electron density perturbation via electron acquisition.  WATER RESEARCH,      [PMID:38461601] [10.1016/j.watres.2024.121421]

8. Xusheng Cheng, Tao Xuan, Haoran Hu, Jianchi Wang, Jiantao Zai, Liwei Wang.  (2025)  Thermodynamic descriptor-guided ligand screening enables dendrite-free zinc deposition in alkaline flow batteries.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40795687] [10.1016/j.jcis.2025.138637]

9. Kui Zou, Hongbo Zhao.  (2025)  Ligand-induced tetrad effect in coordination leaching of ion-adsorption rare earth ores: enhanced recovery of high-value low-lanthanum rare earth concentrates.  GREEN CHEMISTRY,  27  (27): (8174-8187).  [PMID:] [10.1039/D5GC02367J]

10. Yang Wan, Pan Tengfei, Yang Guang, Zhu Jianbing, Ran Xueqin, Ren Biyun, Zuo Mengnan, Chao Lingfeng, Xia Yingdong, Chen Yonghua.  (2025)  Tailoring interface-anchoring molecules for efficient and stable perovskite solar cells.  Nature Communications,      [PMID:41381432] [10.1038/s41467-025-66225-6]

11. Jia Zhao, Heng Zhang, Mengfan Luo, Hongyu Zhou, Zehua Wang, Jialong Yin, Chuanshu He, Peng Zhou, Jing Zhang, Bo Lai.  (2026)  Oriented redox pathways of Fe(VI) and Mn(II) by ligand engineering towards different reactive intermediate generation and micropollutant degradation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.172809]