2-Acetyl-5-methylpyridine - ≥96% , CAS No.5308-63-4

CAS: 5308-63-4 Cat. No.: A185017 Peso molecular: 135.2

GRADE & PURITY ≥96%

Synonyms

EN300-306647 | BDBM50339126 | J-400233 | 1-(5-methyl-2-pyridyl)ethanone | 2-Acetyl-5-methylpyridine | 2-acetyl-5-methyl-pyridine | CHEBI:179147 | AB25779 | Methyl 5-methyl-2-pyridyl ketone, 8CI | SCHEMBL827893 | N-(2-(Diethylamino)ethyl)-5-((Z)-(5-fluoro-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

EN300-306647 | BDBM50339126 | J-400233 | 1-(5-methyl-2-pyridyl)ethanone | 2-Acetyl-5-methylpyridine | 2-acetyl-5-methyl-pyridine | CHEBI:179147 | AB25779 | Methyl 5-methyl-2-pyridyl ketone, 8CI | SCHEMBL827893 | N-(2-(Diethylamino)ethyl)-5-((Z)-(5-fluoro-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504767325
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767325
• Sonrisas canónicas: CC1=CN=C(C=C1)C(=O)C
• IUPAC Name: 1-(5-methylpyridin-2-yl)ethanone
• InChIKey: SBFBKLLKNHMBOH-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO/c1-6-3-4-8(7(2)10)9-5-6/h3-5H,1-2H3
• Isómeros SMILES: CC1=CN=C(C=C1)C(=O)C
• Peso molecular: 135.2
• Reaxy-Rn: 1524480
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524480&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Methylpyridines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Methylpyridine - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Propiedades químicas y físicas

• Sensibilidad: heat sensitive
• Peso molecular: 135.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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