4,6-Dimethyl-2-hydroxypyridine - ≥98% , CAS No.16115-08-5

CAS: 16115-08-5 Cat. No.: D181856 Peso molecular: 123.15

GRADE & PURITY ≥98%

Synonyms

4,6 dimethyl pyridinol | PS-4476 | DS-2635 | NSC16613 | NSC-16613 | SCHEMBL942172 | SY104107 | InChI=1/C7H9NO/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9 | AB07368 | FSPIBFKGESGOLU-UHFFFAOYSA-N | J-400527 | NSC 131089 | 1-PHENYLMETHYL-1H-IMIDAZOLE | 2-hydroxy

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

4, 6 dimethyl pyridinol | PS-4476 | DS-2635 | NSC16613 | NSC-16613 | SCHEMBL942172 | SY104107 | InChI=1/C7H9NO/c1-5-3-6(2)8-7(9)4-5/h3-4H, 1-2H3, (H, 8, 9 | AB07368 | FSPIBFKGESGOLU-UHFFFAOYSA-N | J-400527 | NSC 131089 | 1-PHENYLMETHYL-1H-IMIDAZOLE | 2-hydroxy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=O)NC(=C1)C
• IUPAC Name: 4,6-dimethyl-1H-pyridin-2-one
• InChIKey: FSPIBFKGESGOLU-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9)
• Isómeros SMILES: CC1=CC(=O)NC(=C1)C
• Peso molecular: 123.15
• Reaxy-Rn: 386134
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386134&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Pyridinone - Dihydropyridine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• 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: Moisture sensitive
• Peso molecular: 123.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 201.000
• 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