Sodium ionophore II - ≥98% , CAS No.61595-77-5

CAS: 61595-77-5 Cat. No.: S346552 Molecular Weight: 556.65 EC Number: 262-862-6 PubChem CID: 563154

GRADE & PURITY ≥98%

Synonyms

ETH 157 | 2,2'-[1,2-phenylenebis(oxy)]bis(n-benzyl-n-phenylacetamide) | SCHEMBL623452 | FT-0763619 | Eth 157 | 2,2'-(1,2-phenylenebis(oxy))bis(N-benzyl-N-phenylacetamide) | N-Benzyl-2-(2-[2-(benzylanilino)-2-oxoethoxy]phenoxy)-N-phenylacetamide # | DTXSID

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

Sodium ionophore II is a neutral ionophore for liquid-membrane electrodes of high selectivity for Na|+|.

Specifications

Synonyms

ETH 157 | 2, 2'-[1, 2-phenylenebis(oxy)]bis(n-benzyl-n-phenylacetamide) | SCHEMBL623452 | FT-0763619 | Eth 157 | 2, 2'-(1, 2-phenylenebis(oxy))bis(N-benzyl-N-phenylacetamide) | N-Benzyl-2-(2-[2-(benzylanilino)-2-oxoethoxy]phenoxy)-N-phenylacetamide # | DTXSID

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190317
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190317
• Canonical Smiles: C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)COC3=CC=CC=C3OCC(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5
• IUPAC Name: N-benzyl-2-[2-[2-(N-benzylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
• InChIKey: PVWNDKPREJPMNY-UHFFFAOYSA-N
• INCHI: 1S/C36H32N2O4/c39-35(37(31-19-9-3-10-20-31)25-29-15-5-1-6-16-29)27-41-33-23-13-14-24-34(33)42-28-36(40)38(32-21-11-4-12-22-32)26-30-17-7-2-8-18-30/h1-24H,25-28H2
• Isomeric SMILES: C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)COC3=CC=CC=C3OCC(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5
• WGK Germany: 3
• PubChem CID: 563154
• Molecular Weight: 556.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Tertiary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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: 556.600 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 556.236 Da
• Monoisotopic Mass: 556.236 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 730.000
• 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: 1