4'-Diethylaminoacetophenone - ≥98%(GC)(T) , CAS No.5520-66-1

CAS: 5520-66-1 Cat. No.: D154645 Summenformel: C₁₂H₁₇NO Molekulargewicht: 191.27 EG-Nummer: 678-124-5

GRADE & PURITY ≥98%(GC)(T)

Synonyms

DTXSID40203699 | 4'-Diethylaminoacetophenone, AldrichCPR | AKOS000220913 | FT-0635760 | 1-[4-(Diethylamino)phenyl]ethanone # | 1-[4-(Diethylamino)phenyl]ethanone | A830525 | AS-58914 | 4 inverted exclamation mark -(Diethylamino)acetophenone | HMIBQFXWSUBF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Used in synthesis of photocurable coatings and inks; coloring materials for recording media and dyestuffs.

Specifications

Synonyme

DTXSID40203699 | 4'-Diethylaminoacetophenone, AldrichCPR | AKOS000220913 | FT-0635760 | 1-[4-(Diethylamino)phenyl]ethanone # | 1-[4-(Diethylamino)phenyl]ethanone | A830525 | AS-58914 | 4 inverted exclamation mark -(Diethylamino)acetophenone | HMIBQFXWSUBF

Spezifikationen & Reinheit

≥98%(GC)(T)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%(GC)(T)

Namen und Kennungen

• Pubchem Sid: 488188005
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188005
• Kanonisches Lächeln: CCN(CC)C1=CC=C(C=C1)C(=O)C
• IUPAC Name: 1-[4-(diethylamino)phenyl]ethanone
• InChIKey: HMIBQFXWSUBFTG-UHFFFAOYSA-N
• INCHI: 1S/C12H17NO/c1-4-13(5-2)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
• Isomere SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)C
• Molekulargewicht: 191.27
• Reaxy-Rn: 2093988
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2093988&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: Acetophenones Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - 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

• Empfindlichkeit: air & heat sensitive
• Schmelzpunkt (°C): 49℃
• Molekulargewicht: 191.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 191.131 Da
• Monoisotopic Mass: 191.131 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 179.000
• 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 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.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 5520-66-1, the molecular formula is C12H17NO, and the molecular weight is 191.27 g/mol. InChIKey HMIBQFXWSUBFTG-UHFFFAOYSA-N.