Ethylenediaminetetraacetic acid dilithium salt - ≥95% , CAS No.14531-56-7

CAS: 14531-56-7 Cat. No.: E346339 Molecular Weight: 304.11

GRADE & PURITY ≥95%

Synonyms

DTXSID50932569 | SCHEMBL1396835 | HY-W127799 | Glycine,N,N'-1,2-ethanediylbis[n-(carboxymethyl)-,lithium salt(1:2) | Lithium2,2'-((2-(bis(carboxymethyl)amino)ethyl)azanediyl)diacetate | FT-0697031 | J-008086 | Lithium 2,2'-((2-(bis(carboxymethyl)amino)eth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID50932569 | SCHEMBL1396835 | HY-W127799 | Glycine, N, N'-1, 2-ethanediylbis[n-(carboxymethyl)-, lithium salt(1:2) | Lithium2, 2'-((2-(bis(carboxymethyl)amino)ethyl)azanediyl)diacetate | FT-0697031 | J-008086 | Lithium 2, 2'-((2-(bis(carboxymethyl)amino)eth

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [Li+].[Li+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O
• IUPAC Name: dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
• InChIKey: RDSDRBIJHLVNSE-UHFFFAOYSA-L
• INCHI: 1S/C10H16N2O8.2Li/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2
• Isomeric SMILES: [Li+].[Li+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O
• Molecular Weight: 304.11
• Reaxy-Rn: 14120170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14120170&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Trialkylamines Carboxylic acid salts Amino acids Organic lithium salts Carboxylic acids Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic 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 - Organic lithium salt - Carboxylic acid - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four 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

• Molecular Weight: 304.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 304.107 Da
• Monoisotopic Mass: 304.107 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 340.000
• 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

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