Ethylenediaminetetraacetic acid trisodium salt - ≥98% , CAS No.150-38-9

CAS: 150-38-9 Cat. No.: E299933 Peso molecular: 358.19 Número EC: 205-758-8

GRADE & PURITY ≥98%

Synonyms

Ethylenediamineacetic acid trisodium salt | Q27132403 | trisodium 2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate | CCG-268131 | Edetate trisodium (USAN) | EDTA TRISODIUM SALT [MI] | ethylenediaminetetraacetic acid trisodium | Glyc

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Ethylenediamineacetic acid trisodium salt | Q27132403 | trisodium 2, 2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate | CCG-268131 | Edetate trisodium (USAN) | EDTA TRISODIUM SALT [MI] | ethylenediaminetetraacetic acid trisodium | Glyc

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180921
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180921
• Sonrisas canónicas: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
• InChIKey: QZKRHPLGUJDVAR-UHFFFAOYSA-K
• INCHI: 1S/C10H16N2O8.3Na/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;3*+1/p-3
• Isómeros SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]
• Peso molecular: 358.19
• Reaxy-Rn: 5843772
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5843772&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 Carboxylic acids Organopnictogen compounds 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 - 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
• Descripción: 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: organic sodium salt

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 358.190 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 358.036 Da
• Monoisotopic Mass: 358.036 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 351.000
• 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: 4

XLogP3

Referencias

1. Xiao-Fang Liu, Qing-Wen Song, Shuai Zhang, Liang-Nian He.  (2015)  Hydrogen bonding-inspired organocatalysts for CO2 fixation with epoxides to cyclic carbonates.  CATALYSIS TODAY,      [PMID:] [10.1016/j.cattod.2015.08.062]