3′-Ethoxyacetanilide - ≥99% , CAS No.591-33-3

CAS: 591-33-3 Cat. No.: E354647 Summenformel: C₁₀H₁₃NO₂ Molekulargewicht: 179.22 EG-Nummer: 209-713-3

QUALITÄT & REINHEIT ≥99%

Synonyms

AKOS001603877 | SR-01000414402-1 | Acetanilide, 3'-ethoxy- | DTXSID8060450 | SCHEMBL10264545 | FT-0693632 | 3'-Ethoxyacetanilide | 3-ETHOXYACETANILIDE | AS-75905 | BRN 2691816 | m-Acetophenetidide | m-Ethoxyacetanilide | 0X00AE1BZW | EU-0069602 | N-(3-Eth

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

AKOS001603877 | SR-01000414402-1 | Acetanilide, 3'-ethoxy- | DTXSID8060450 | SCHEMBL10264545 | FT-0693632 | 3'-Ethoxyacetanilide | 3-ETHOXYACETANILIDE | AS-75905 | BRN 2691816 | m-Acetophenetidide | m-Ethoxyacetanilide | 0X00AE1BZW | EU-0069602 | N-(3-Eth

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488181384

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181384

Kanonisches Lächeln

CCOC1=CC=CC(=C1)NC(=O)C

IUPAC Name

N-(3-ethoxyphenyl)acetamide

InChIKey

YVTBOWVWYXJHLD-UHFFFAOYSA-N

INCHI

1S/C10H13NO2/c1-3-13-10-6-4-5-9(7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

Isomere SMILES

CCOC1=CC=CC(=C1)NC(=O)C

RTECS

AM4300000

Molekulargewicht

179.22

Reaxy-Rn

2691816

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691816&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Phenoxy compounds Phenol ethers Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Schmelzpunkt (°C): 95-98° C
• Molekulargewicht: 179.220 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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