2′,4′-Dimethoxyacetanilide - ≥97% , CAS No.23042-75-3

CAS: 23042-75-3 Cat. No.: D334488 Molecular Weight: 195.22 EC Number: 245-394-7

GRADE & PURITY ≥97%

Synonyms

DTXSID2066850 | N-(2',4'-dimethoxyphenyl)-acetamide | N-(2,4-Dimethoxyphenyl)acetamide | N-(2,4-Dimethoxyphenyl)acetamide # | 2',4'-Dimethoxyacetanilide | ACETAMIDE,N-(2,4-DIMETHOXYPHENYL)- | AKOS002960370 | N-acetyl-2,4-dimethoxyaniline | AO-548/05510047

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DTXSID2066850 | N-(2', 4'-dimethoxyphenyl)-acetamide | N-(2, 4-Dimethoxyphenyl)acetamide | N-(2, 4-Dimethoxyphenyl)acetamide # | 2', 4'-Dimethoxyacetanilide | ACETAMIDE, N-(2, 4-DIMETHOXYPHENYL)- | AKOS002960370 | N-acetyl-2, 4-dimethoxyaniline | AO-548/05510047

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504756010
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756010
• Canonical Smiles: CC(=O)NC1=C(C=C(C=C1)OC)OC
• IUPAC Name: N-(2,4-dimethoxyphenyl)acetamide
• InChIKey: PUOPSKXVSJHFJF-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO3/c1-7(12)11-9-5-4-8(13-2)6-10(9)14-3/h4-6H,1-3H3,(H,11,12)
• Isomeric SMILES: CC(=O)NC1=C(C=C(C=C1)OC)OC
• Molecular Weight: 195.22
• Reaxy-Rn: 2806279
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2806279&ln=

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: Acetanilides
• Alternative Parents: Dimethoxybenzenes N-acetylarylamines Methoxyanilines Phenoxy compounds Anisoles Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - M-dimethoxybenzene - Dimethoxybenzene - N-acetylarylamine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 195.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.09 Da
• Monoisotopic Mass: 195.09 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• 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