Trisodium Nitrilotriacetate Monohydrate - ≥98%(T) , CAS No.18662-53-8

CAS: 18662-53-8 Cat. No.: T161515 Molecular Weight: 275.08 EC Number: 606-091-9 PubChem CID: 29194

GRADE & PURITY ≥98%(T)

Synonyms

Nitrilotriacetic Acid Trisodium Salt Monohydrate | NTA 3Na Monohydrate | Triglycollamic Acid Trisodium Salt Monohydrate

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Nitrilotriacetic Acid Trisodium Salt Monohydrate | NTA 3Na Monohydrate | Triglycollamic Acid Trisodium Salt Monohydrate

Specifications & Purity

≥98%(T)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488183094
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183094
• Canonical Smiles: C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate
• InChIKey: HERBOKBJKVUALN-UHFFFAOYSA-K
• INCHI: 1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3
• Isomeric SMILES: C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+]
• WGK Germany: 3
• RTECS: AJ1070000
• PubChem CID: 29194
• Molecular Weight: 275.08

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Melt Point(°C): >300℃
• Molecular Weight: 275.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 274.999 Da
• Monoisotopic Mass: 274.999 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 17
• 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: 5

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