2,6-Dimethyl-4-hydroxypyridine - ≥98%(GC) , CAS No.13603-44-6

CAS: 13603-44-6 Cat. No.: D138177 Summenformel: C₇H₉NO Molekulargewicht: 123.16 Beilstein Registry Number: 21(4)535 EG-Nummer: 237-089-2

GRADE & PURITY ≥98%(GC)

Synonyms

2,6-dimethyl-1,4-dihydropyridin-4-one | 4-hydroxy-2,6-dimethylpyridine | EN300-92391 | MLS000056906 | cid_83609 | STK051921 | 2,6-Dimethyl-4-pyridinol # | 2,6-Dimethyl-pyridin-4-ol | 2,6-Dimethylpyridin-4-ol | DTXSID70929234 | 2-Benzyloxyanilline | BCP266

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,6-dimethyl-1,4-dihydropyridin-4-one | 4-hydroxy-2,6-dimethylpyridine | EN300-92391 | MLS000056906 | cid_83609 | STK051921 | 2,6-Dimethyl-4-pyridinol # | 2,6-Dimethyl-pyridin-4-ol | 2,6-Dimethylpyridin-4-ol | DTXSID70929234 | 2-Benzyloxyanilline | BCP266

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488186189

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186189

Kanonisches Lächeln

CC1=CC(=O)C=C(N1)C

IUPAC Name

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

InChIKey

PRAFLUMTYHBEHE-UHFFFAOYSA-N

INCHI

1S/C7H9NO/c1-5-3-7(9)4-6(2)8-5/h3-4H,1-2H3,(H,8,9)

Isomere SMILES

CC1=CC(=O)C=C(N1)C

Molekulargewicht

123.16

Beilstein

21(4)535

Reaxy-Rn

1422244

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1422244&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Dihydropyridines Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Dihydropyridine - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - 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 methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 351 °C
• Schmelzpunkt (°C): 230 °C
• Molekulargewicht: 123.150 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• 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: 181.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 13603-44-6, the molecular formula is C7H9NO, and the molecular weight is 123.16 g/mol. InChIKey PRAFLUMTYHBEHE-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.