Ethylene glycol-bis(β-aminoethyl ether)-N,N,N′,N′-tetraacetic acid tetrasodium salt - ≥97% , CAS No.13368-13-3

CAS: 13368-13-3 Cat. No.: E167004 Molecular Weight: 468.28 EC Number: 970-169-1

GRADE & PURITY ≥97%

Synonyms

DTXSID70585152 | EGTA tetrasodium salt | AKOS015910778 | Ethylene glycol-bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid tetrasodium salt, >=97% | EGTA tetrasodium | AKOS025213870 | MFCD00274420 | AS-81568 | tetrasodium;2-[2-[2-[2-[bis(carboxylatome

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID70585152 | EGTA tetrasodium salt | AKOS015910778 | Ethylene glycol-bis(beta-aminoethyl ether)-N, N, N', N'-tetraacetic acid tetrasodium salt, >=97% | EGTA tetrasodium | AKOS025213870 | MFCD00274420 | AS-81568 | tetrasodium;2-[2-[2-[2-[bis(carboxylatome

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(COCCOCCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate
• InChIKey: BAOGCDPNNOBWQZ-UHFFFAOYSA-J
• INCHI: 1S/C14H24N2O10.4Na/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4
• Isomeric SMILES: C(COCCOCCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• Molecular Weight: 468.28
• Reaxy-Rn: 26089464
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26089464&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 Dialkyl ethers Carboxylic acids Organic zwitterions Organic sodium salts 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 - Tertiary amine - Tertiary aliphatic amine - Amino acid - Ether - Dialkyl ether - Carboxylic acid - Organic alkali metal salt - Organic zwitterion - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - 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: 468.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 468.071 Da
• Monoisotopic Mass: 468.071 Da
• Topological Polar Surface Area: 185.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 375.000
• 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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