2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(2-phenylethyl)acetamide , CAS No.486994-22-3

CAS: 486994-22-3 Cat. No.: E1296756 Fórmula: C₁₉H₂₀INO₄ Peso molecular: 453.3

Storage

Room temperature

Shipped In

Normal

Specifications

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

CCOC1=C(C(=CC(=C1)C=O)I)OCC(=O)NCCC2=CC=CC=C2

IUPAC Name

2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(2-phenylethyl)acetamide

InChIKey

PIMHSORFAXDEHH-UHFFFAOYSA-N

INCHI

1S/C19H20INO4/c1-2-24-17-11-15(12-22)10-16(20)19(17)25-13-18(23)21-9-8-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3,(H,21,23)

Peso molecular

453.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Iodobenzenes Alkyl aryl ethers Aryl iodides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl-aldehyde - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 453.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 453.044 Da
• Monoisotopic Mass: 453.044 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 414.000
• 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

Perguntas frequentes

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 486994-22-3, the molecular formula is C19H20INO4, and the molecular weight is 453.3 g/mol. InChIKey PIMHSORFAXDEHH-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.