ATBTA-Eu³⁺ - ≥90%(HPLC)(T) , CAS No.601494-52-4

CAS: 601494-52-4 Cat. No.: A151484 Molecular Weight: 861.63 PubChem CID: 44629911

GRADE & PURITY ≥90%(HPLC)(T)

Synonyms

sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]methyl-(carboxylatomethyl)amino]acetate;europium(3+) | Sodium(4'-(4'-Amino-4-biphenylyl)-2,2':6',2''-terpyridine-6,6''-diylbis(methy

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]methyl-(carboxylatomethyl)amino]acetate;europium(3+) | Sodium(4'-(4'-Amino-4-biphenylyl)-2, 2':6', 2''-terpyridine-6, 6''-diylbis(methy

Specifications & Purity

≥90%(HPLC)(T)

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%(HPLC)(T)

Names and Identifiers

• Pubchem Sid: 488201036
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201036
• Canonical Smiles: C1=CC(=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC(=N3)CN(CC(=O)[O-])CC(=O)[O-])C4=CC=C(C=C4)C5=CC=C(C=C5)N)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Eu+3]
• IUPAC Name: sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)
• InChIKey: WPJHPWPASHGOEZ-UHFFFAOYSA-J
• INCHI: 1S/C37H34N6O8.Eu.Na/c38-27-13-11-24(12-14-27)23-7-9-25(10-8-23)26-15-32(30-5-1-3-28(39-30)17-42(19-34(44)45)20-35(46)47)41-33(16-26)31-6-2-4-29(40-31)18-43(21-36(48)49)22-37(50)51;;/h1-16H,17-22,38H2,(H,44,45)(H,46,47)(H,48,49)(H,50,51);;/q;+3;+1/p-4
• Isomeric SMILES: C1=CC(=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC(=N3)CN(CC(=O)[O-])CC(=O)[O-])C4=CC=C(C=C4)C5=CC=C(C=C5)N)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Eu+3]
• PubChem CID: 44629911
• Molecular Weight: 861.63

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: Phenylpyridines Biphenyls and derivatives Bipyridines and oligopyridines Alpha amino acids 6-substituted-2-pyridinylmethylamines Aniline and substituted anilines Aralkylamines Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acid salts Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Carbonyl compounds Primary amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Biphenyl - Bipyridine - 4-phenylpyridine - Alpha-amino acid - Alpha-amino acid or derivatives - 6-substituted-2-pyridinylmethylamine - 2-pyridylmethylamine - Aniline or substituted anilines - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Organic alkali metal salt - Carboxylic acid - Azacycle - Organic salt - Organooxygen compound - Organonitrogen compound - Primary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic sodium salt - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic 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

• Solubility: Soluble in water
• Sensitivity: light,air sensitive
• Molecular Weight: 861.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 12
• Exact Mass: 862.124 Da
• Monoisotopic Mass: 862.124 Da
• Topological Polar Surface Area: 232.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1040.000
• 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