3′-Acetylamino-4′-methoxyacetophenone - ≥97% , CAS No.74896-31-4

CAS: 74896-31-4 Cat. No.: A469626 Summenformel: C₁₁H₁₃NO₃ Molekulargewicht: 207.23 EG-Nummer: 624-125-0

GRADE & PURITY ≥97%

Synonyms

AKOS022344198 | N-(5-Acetyl-2-methoxyphenyl)acetamide | 3'-Acetylamino-4'-methoxyacetophenone, 97% | Z1013760676 | 3'-Acetylamino-4'-methoxyacetophenone | 3 inverted exclamation marka-Acetylamino-4 inverted exclamation marka-methoxyacetophenone | EN300-65

Storage

Room temperature

Specifications

Synonyme

AKOS022344198 | N-(5-Acetyl-2-methoxyphenyl)acetamide | 3'-Acetylamino-4'-methoxyacetophenone, 97% | Z1013760676 | 3'-Acetylamino-4'-methoxyacetophenone | 3 inverted exclamation marka-Acetylamino-4 inverted exclamation marka-methoxyacetophenone | EN300-65

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488191586

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191586

Kanonisches Lächeln

CC(=O)C1=CC(=C(C=C1)OC)NC(=O)C

IUPAC Name

N-(5-acetyl-2-methoxyphenyl)acetamide

InChIKey

YAWSGLTYMVPIRM-UHFFFAOYSA-N

INCHI

1S/C11H13NO3/c1-7(13)9-4-5-11(15-3)10(6-9)12-8(2)14/h4-6H,1-3H3,(H,12,14)

Isomere SMILES

CC(=O)C1=CC(=C(C=C1)OC)NC(=O)C

WGK Deutschland

3

Molekulargewicht

207.23

Reaxy-Rn

2731244

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2731244&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetanilides N-acetylarylamines Methoxyanilines Acetophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetanilide - Acetophenone - Anilide - N-acetylarylamine - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 120-124 °C (lit.)
• Molekulargewicht: 207.230 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.09 Da
• Monoisotopic Mass: 207.09 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 252.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 74896-31-4, the molecular formula is C11H13NO3, and the molecular weight is 207.23 g/mol. InChIKey YAWSGLTYMVPIRM-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.