Ethyl 4-Acetamidophenylacetate - ≥98% , CAS No.13475-17-7

CAS: 13475-17-7 Cat. No.: E156354 Fórmula: C₁₂H₁₅NO₃ Peso molecular: 221.26 Beilstein Registry Number: 14(3)1184

GRADE & PURITY ≥98%

Synonyms

E0585 | Ethyl 2-(4-acetamidophenyl)acetate | Ethyl 4-Acetamidophenylacetate | Ethyl2-(4-acetamidophenyl)acetate | A18165 | MFCD06797104 | A50725 | Ethyl 4-acetamidophenyl acetate | BS-44043 | SCHEMBL10685516 | Ethyl (4-acetamidophenyl)acetate | FT-0767823

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

E0585 | Ethyl 2-(4-acetamidophenyl)acetate | Ethyl 4-Acetamidophenylacetate | Ethyl2-(4-acetamidophenyl)acetate | A18165 | MFCD06797104 | A50725 | Ethyl 4-acetamidophenyl acetate | BS-44043 | SCHEMBL10685516 | Ethyl (4-acetamidophenyl)acetate | FT-0767823

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488196640
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196640
• Sorrisos canónicos: CCOC(=O)CC1=CC=C(C=C1)NC(=O)C
• IUPAC Name: ethyl 2-(4-acetamidophenyl)acetate
• InChIKey: OOLUNZSKHFNSCD-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO3/c1-3-16-12(15)8-10-4-6-11(7-5-10)13-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,14)
• SMILES isoméricas: CCOC(=O)CC1=CC=C(C=C1)NC(=O)C
• Peso molecular: 221.26
• Beilstein: 14(3)1184
• Reaxy-Rn: 2940618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940618&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Acetamides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - Acetamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• 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

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 78 °C
• Peso molecular: 221.250 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.105 Da
• Monoisotopic Mass: 221.105 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 245.000
• 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 is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 13475-17-7, the molecular formula is C12H15NO3, and the molecular weight is 221.26 g/mol. InChIKey OOLUNZSKHFNSCD-UHFFFAOYSA-N.

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.