N-Methylacetanilide - ≥98%(GC) , CAS No.579-10-2

CAS: 579-10-2 Cat. No.: N159396 Fórmula: C₉H₁₁NO Peso molecular: 149.19 Beilstein Registry Number: 12(3)465 Número CE: 209-436-8

GRAU & PUREZA ≥98%(GC)

Synonyms

A831671 | N-Methylacetanilide | Methylantifebrin | N-Acetylmethylaniline | N-Acetyl-methylaniline | N-methyl-N-phenyl-ethanamide | SCHEMBL208445 | AI3-05816 | DTXSID8060373 | M0134 | Phenylmethylacetamide | UNII-6MR085F8DW | MFCD00026181 | N-Methyl-N-phen

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

A831671 | N-Methylacetanilide | Methylantifebrin | N-Acetylmethylaniline | N-Acetyl-methylaniline | N-methyl-N-phenyl-ethanamide | SCHEMBL208445 | AI3-05816 | DTXSID8060373 | M0134 | Phenylmethylacetamide | UNII-6MR085F8DW | MFCD00026181 | N-Methyl-N-phen

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488181316

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181316

Sorrisos canónicos

CC(=O)N(C)C1=CC=CC=C1

IUPAC Name

N-methyl-N-phenylacetamide

InChIKey

LMTGCJANOQOGPI-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

CC(=O)N(C)C1=CC=CC=C1

RTECS

AE4900000

Peso molecular

149.19

Beilstein

12(3)465

Reaxy-Rn

2207686

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207686&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: Tertiary carboxylic acid amides Acetamides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water; Soluble in Methanol
• Ponto de ebulição (°C): 146 °C/30 mmHg
• Ponto de fusão (°C): 101 °C
• Peso molecular: 149.190 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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