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

CAS: 16115-08-5 Cat. No.: D181856 Summenformel: C₇H₉NO Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528759535

Kanonisches Lächeln

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)

Isomere SMILES

CC1=CC(=O)NC(=C1)C

Molekulargewicht

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
    • Klasse Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 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