1-(3-Morpholinophenyl)ethanone - ≥98% , CAS No.59695-23-7

CAS: 59695-23-7 Cat. No.: E710196 Summenformel: C₁₂H₁₅NO₂ Molekulargewicht: 205.25 EG-Nummer: 802-030-7 PubChem CID: 7148650

GRADE & PURITY ≥98%

Synonyms

1-(3-morpholinophenyl)ethan-1-one | 3-methylmorpholine acetophenone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

1-(3-morpholinophenyl)ethan-1-one | 3-methylmorpholine acetophenone

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC(=O)C1=CC(=CC=C1)N2CCOCC2
• IUPAC Name: 1-(3-morpholin-4-ylphenyl)ethanone
• InChIKey: WXDCDRGCTJHTRW-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO2/c1-10(14)11-3-2-4-12(9-11)13-5-7-15-8-6-13/h2-4,9H,5-8H2,1H3
• Isomere SMILES: CC(=O)C1=CC(=CC=C1)N2CCOCC2
• PubChem CID: 7148650
• Molekulargewicht: 205.25

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: Phenylmorpholines Acetophenones Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylmorpholine - Acetophenone - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aryl alkyl ketone - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 205.250 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.11 Da
• Monoisotopic Mass: 205.11 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 224.000
• 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