4-Acetyl-N-methylaniline - ≥97% , CAS No.17687-47-7

CAS: 17687-47-7 Cat. No.: A196189 Summenformel: C₉H₁₁NO Molekulargewicht: 149.19 EG-Nummer: 626-336-3

GRADE & PURITY ≥97%

Synonyms

4-N-Methylaminoacetophenone | A881496 | 1-(4-(Methylamino)phenyl)ethanone | 4-acetyl-n-methyl aniline | 4-Acetyl-N-methylaniline | AMY5226 | F1791-1730 | 1-[4-(methylamino)phenyl]ethan-1-one | EN300-365696 | Ethanone, 1-[4-(methylamino)phenyl]- (9CI) | MF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-N-Methylaminoacetophenone | A881496 | 1-(4-(Methylamino)phenyl)ethanone | 4-acetyl-n-methyl aniline | 4-Acetyl-N-methylaniline | AMY5226 | F1791-1730 | 1-[4-(methylamino)phenyl]ethan-1-one | EN300-365696 | Ethanone, 1-[4-(methylamino)phenyl]- (9CI) | MF

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488197619

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197619

Kanonisches Lächeln

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

IUPAC Name

1-[4-(methylamino)phenyl]ethanone

InChIKey

GDBAYICEBDZUNM-UHFFFAOYSA-N

INCHI

1S/C9H11NO/c1-7(11)8-3-5-9(10-2)6-4-8/h3-6,10H,1-2H3

Isomere SMILES

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

WGK Deutschland

2

Molekulargewicht

149.19

Reaxy-Rn

2828467

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2828467&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 Phenylalkylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Secondary alkylarylamines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - 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): 105℃
• Molekulargewicht: 149.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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