Nitrilotriacetic Acid Disodium Salt - ≥99%(T) , CAS No.15467-20-6

CAS: 15467-20-6 Cat. No.: N159059 Molecular Weight: 235.1 EC Number: 239-484-5

GRADE & PURITY ≥99%(T)

Synonyms

disodium nitriloacetate | disodiumnitrilotriacetate | 4-(TRIFLUOROMETHOXY)BENZOYLFLUORIDE | N,N-Bis(carboxymethyl)glycine disodium salt | EINECS 239-484-5 | N0100 | Nitrilotriacetic acid, disodium salt | Nitrilotriacetic acid disodium salt, Sigma Grade, >

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

disodium nitriloacetate | disodiumnitrilotriacetate | 4-(TRIFLUOROMETHOXY)BENZOYLFLUORIDE | N, N-Bis(carboxymethyl)glycine disodium salt | EINECS 239-484-5 | N0100 | Nitrilotriacetic acid, disodium salt | Nitrilotriacetic acid disodium salt, Sigma Grade, >

Specifications & Purity

≥99%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(T)

Names and Identifiers

• Canonical Smiles: C(C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;2-[carboxylatomethyl(carboxymethyl)amino]acetate
• InChIKey: RHPXYIKALIRNFA-UHFFFAOYSA-L
• INCHI: 1S/C6H9NO6.2Na/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;2*+1/p-2
• Isomeric SMILES: C(C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
• WGK Germany: 2
• RTECS: AJ0350000
• Molecular Weight: 235.1
• Reaxy-Rn: 4049319
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4049319&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 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

• Molecular Weight: 235.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 235.007 Da
• Monoisotopic Mass: 235.007 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 198.000
• 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: 3

XLogP3

References

1. Xiaoqing Lin, Longqian Xu, Zhenyu Zhao, Shanshan Liu, Jiaming Zhang, Deli Wu.  (2022)  Highly efficient removal of hexavalent chromium from electroplating wastewater by ferrous/ferric hydroxide complex: From lab-scale to pilot-scale study.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.140429]