Diethylenetriaminepentaacetic acid, pentasodium salt - ca. 50% in Water , CAS No.140-01-2

CAS: 140-01-2 Cat. No.: D302814 Molecular Weight: 503.26 EC Number: 205-391-3

GRADE & PURITY ca. 50% in Water

Synonyms

Diethylenetriamine-pentaacetic acid pentasodium salt solution | DTPA Na5 | Pentasodium DTPA | PENTASODIUM PENTETATE | pentasodiumdiethylenetriaminepentaacetate | Tetralon B

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

product description：

Diethylenetriamine-pentaacetic acid pentasodium salt is an organic chelating agent.

application：

Diethylenetriamine-pentaacetic acid pentasodium salt solution may be used in a competitive indirect enzyme-linked immunoassay for the quantitative measurement of lead ions. It may be used in one-step immunochromatographic assay (ICA) for the fast detection of lead ions in water samples.

Specifications

Synonyms

Diethylenetriamine-pentaacetic acid pentasodium salt solution | DTPA Na5 | Pentasodium DTPA | PENTASODIUM PENTETATE | pentasodiumdiethylenetriaminepentaacetate | Tetralon B

Specifications & Purity

ca. 50% in Water

Storage

Room temperature, Desiccated

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504751733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751733
• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
• InChIKey: LQPLDXQVILYOOL-UHFFFAOYSA-I
• INCHI: 1S/C14H23N3O10.5Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;/q;5*+1/p-5
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
• Molecular Weight: 503.26
• Reaxy-Rn: 3869192
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3869192&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Pentacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Pentacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids 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: Pentacarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Organic alkali metal salt - Organic sodium salt - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organic zwitterion - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five 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
• Refractive Index: 1.42
• Flash Point(°C): 389.9°C
• Boil Point(°C): 106 °C
• Melt Point(°C): -40 °C
• Molecular Weight: 503.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 503.048 Da
• Monoisotopic Mass: 503.048 Da
• Topological Polar Surface Area: 210.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 454.000
• 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: 6

XLogP3

References

1. Xiangxiang Cui, Zhenyu Zhang, Chunjing Shi, Qibo Peng, Xiaoyu Liu, Xiuqing Liu, Hongxiu Zhou, Junyuan Feng, Wei Wen.  (2024)  Atomic surface induced by novel green chemical mechanical polishing for aspheric thin-walled crucibles with large diameters.  Journal of Manufacturing Processes,      [PMID:] [10.1016/j.jmapro.2024.03.014]

2. 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]

3. Wang Weiran, He Hui, Wang Zhifen.  (2025)  Anionically modified chitosan-coated magnetic silica particles with enhanced adsorption for uranium removal.  JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,      [PMID:] [10.1007/s10967-025-10366-x]

4. Xuhua Chen, Ru Wang, Zhanjie Du, Yu Zhu, Zhe Liang, Yanwei Dong, Tao Zheng.  (2025)  Effect of diethylenetriamine pentaacetate pentasodium and guanidine phosphate on chemical mechanical polishing of TSV barrier layer.  Materials Science and Engineering B-Advanced Functional Solid-State Materials,      [PMID:] [10.1016/j.mseb.2025.117993]