4,6-DIMETHYL-2-HYDROXYQUINOLINE , CAS No.23947-37-7

CAS: 23947-37-7 Cat. No.: D168918 Fórmula: C₁₁H₁₁NO Peso molecular: 173.216 Número CE: 654-399-7

Synonyms

4,6-dimethyl-1,2-dihydroquinolin-2-one | InChI=1/C11H11NO/c1-7-3-4-10-9(5-7)8(2)6-11(13)12-10/h3-6H,1-2H3,(H,12,13 | STK397251 | NSC110854 | NSC-110854 | DTXSID00296688 | LAQRPDPJOOMNHB-UHFFFAOYSA-N | SR-01000435786-1 | SR-01000435786 | AKOS000313227 | AK

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4,6-dimethyl-1,2-dihydroquinolin-2-one | InChI=1/C11H11NO/c1-7-3-4-10-9(5-7)8(2)6-11(13)12-10/h3-6H,1-2H3,(H,12,13 | STK397251 | NSC110854 | NSC-110854 | DTXSID00296688 | LAQRPDPJOOMNHB-UHFFFAOYSA-N | SR-01000435786-1 | SR-01000435786 | AKOS000313227 | AK

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

• Sorrisos canónicos: CC1=CC2=C(C=C1)NC(=O)C=C2C
• IUPAC Name: 4,6-dimethyl-1H-quinolin-2-one
• InChIKey: LAQRPDPJOOMNHB-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO/c1-7-3-4-10-9(5-7)8(2)6-11(13)12-10/h3-6H,1-2H3,(H,12,13)
• SMILES isoméricas: CC1=CC2=C(C=C1)NC(=O)C=C2C
• Peso molecular: 173.216
• Reaxy-Rn: 1527800
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1527800&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Pyridinones Methylpyridines Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Pyridinone - Methylpyridine - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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

Propriedades químicas e físicas

• Peso molecular: 173.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.084 Da
• Monoisotopic Mass: 173.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 257.000
• 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

Perguntas frequentes

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 23947-37-7, the molecular formula is C11H11NO, and the molecular weight is 173.216 g/mol. InChIKey LAQRPDPJOOMNHB-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.