1-Benzyl-4-hydroxyquinolin-2(1H)-one - ≥97% , CAS No.105024-96-2

CAS: 105024-96-2 Cat. No.: B1069286 PubChem CID: 54680863

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC2=O)O
• IUPAC Name: 1-benzyl-4-hydroxyquinolin-2-one
• InChIKey: ZBYILUVKUROMNA-UHFFFAOYSA-N
• INCHI: 1S/C16H13NO2/c18-15-10-16(19)17(11-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-10,18H,11H2
• Isomere SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC2=O)O
• Alternative CAS-Nummer: 105024-96-2
• PubChem CID: 54680863

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass 1-benzylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: 1-benzylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzylquinolines
• Alternative Parents: Hydroxyquinolones Hydroxyquinolines Hydroquinolones Hydroquinolines Pyridinones Hydroxypyridines Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzylquinoline - Hydroxyquinolone - Dihydroquinolone - Hydroxyquinoline - Dihydroquinoline - Hydroxypyridine - Pyridinone - Benzenoid - Monocyclic benzene moiety - Pyridine - Vinylogous acid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-benzylquinolines. These are organic aromatic compounds containing a quinoline that is substituted at the 1-position by a benzyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 251.280 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 251.095 Da
• Monoisotopic Mass: 251.095 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 371.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 105024-96-2. InChIKey ZBYILUVKUROMNA-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.