2,6-Dihydroxy-3,4-dimethylpyridine - ≥95% , CAS No.84540-47-6

CAS: 84540-47-6 Cat. No.: D186875 Summenformel: C₇H₉NO₂ Molekulargewicht: 139.15 EG-Nummer: 283-141-2

GRADE & PURITY ≥95%

Synonyms

2(1H)-PYRIDINONE, 6-HYDROXY-4,5-DIMETHYL- | 6-Hydroxy-3,4-dimethyl-2-pyridone | W-104115 | AMY21815 | 2,6-DIHYDROXY-3,4-DIMETHYLPYRIDINE [INCI] | 3,4-dimethylpyridine-2,6-diol | 6-Hydroxy-4,5-dimethylpyridin-2(1H)-one | SCHEMBL127356 | 2,6-Dihydroxy-3,4-d

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2(1H)-PYRIDINONE, 6-HYDROXY-4,5-DIMETHYL- | 6-Hydroxy-3,4-dimethyl-2-pyridone | W-104115 | AMY21815 | 2,6-DIHYDROXY-3,4-DIMETHYLPYRIDINE [INCI] | 3,4-dimethylpyridine-2,6-diol | 6-Hydroxy-4,5-dimethylpyridin-2(1H)-one | SCHEMBL127356 | 2,6-Dihydroxy-3,4-d

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504765390

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765390

Kanonisches Lächeln

CC1=CC(=O)NC(=C1C)O

IUPAC Name

6-hydroxy-4,5-dimethyl-1H-pyridin-2-one

InChIKey

KIEGFAYDOKCBOK-UHFFFAOYSA-N

INCHI

1S/C7H9NO2/c1-4-3-6(9)8-7(10)5(4)2/h3H,1-2H3,(H2,8,9,10)

Isomere SMILES

CC1=CC(=O)NC(=C1C)O

Molekulargewicht

139.15

Reaxy-Rn

50273342

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50273342&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 Hydroxypyridines Dihydropyridines Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Hydroxypyridine - Pyridinone - Dihydropyridine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Molekulargewicht: 139.150 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.063 Da
• Monoisotopic Mass: 139.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 238.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 84540-47-6, the molecular formula is C7H9NO2, and the molecular weight is 139.15 g/mol. InChIKey KIEGFAYDOKCBOK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.