2-Hydroxy-3-methylpyridine - ≥97% , CAS No.91914-04-4

CAS: 91914-04-4 Cat. No.: M590725 Summenformel: C₆H₇NO Molekulargewicht: 109.13 EG-Nummer: ‘213-710-2

GRADE & PURITY ≥97%

Synonyms

AS-17402 | Cavalite Black B | 2-Hydroxy-3-methylpyridine | 2-hydroxy-3-methyl-pyridine | A844099 | D97281 | V7W6L6R35U | 2-HYDROXY-3-PICOLINE | AC-6248 | Methylpyridon | NSC4343 | NSC-4343 | SY020532 | CHEBI:194930 | 3-Methyl-2(1H)-pyridinone | NSC 4343 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AS-17402 | Cavalite Black B | 2-Hydroxy-3-methylpyridine | 2-hydroxy-3-methyl-pyridine | A844099 | D97281 | V7W6L6R35U | 2-HYDROXY-3-PICOLINE | AC-6248 | Methylpyridon | NSC4343 | NSC-4343 | SY020532 | CHEBI:194930 | 3-Methyl-2(1H)-pyridinone | NSC 4343 |

Spezifikationen & Reinheit

≥97%

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

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC=CNC1=O
• IUPAC Name: 3-methyl-1H-pyridin-2-one
• InChIKey: MVKDNXIKAWKCCS-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
• Isomere SMILES: CC1=CC=CNC1=O
• NSC-Nummer: NSC Number': ['4343
• Molekulargewicht: 109.13
• Reaxy-Rn: 1422044
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1422044&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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 109.130 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.053 Da
• Monoisotopic Mass: 109.053 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 167.000
• 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