7-Methyl-4-quinolinol - ≥97% , CAS No.82121-08-2

CAS: 82121-08-2 Cat. No.: M337111 Fórmula: C₁₀H₉NO Peso molecular: 159.18 Número CE: 804-505-4

GRADE & PURITY ≥97%

Synonyms

SB67768 | SY227472 | DTXSID10420891 | 7-Methyl-4-quinolone | AKOS006282113 | MFCD09787874 | 7-methyl-1H-quinolin-4-one | SCHEMBL12663392 | 7-Methyl-4-quinolinol | FT-0754240 | 4-Hydroxy-7-methylquinoline, AldrichCPR | 7-methylquinolin-4-ol | A840255 | EIN

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SB67768 | SY227472 | DTXSID10420891 | 7-Methyl-4-quinolone | AKOS006282113 | MFCD09787874 | 7-methyl-1H-quinolin-4-one | SCHEMBL12663392 | 7-Methyl-4-quinolinol | FT-0754240 | 4-Hydroxy-7-methylquinoline, AldrichCPR | 7-methylquinolin-4-ol | A840255 | EIN

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504763965

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763965

Sorrisos canónicos

CC1=CC2=C(C=C1)C(=O)C=CN2

IUPAC Name

7-methyl-1H-quinolin-4-one

InChIKey

JPVTWKDGBWUNBQ-UHFFFAOYSA-N

INCHI

1S/C10H9NO/c1-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)

SMILES isoméricas

CC1=CC2=C(C=C1)C(=O)C=CN2

WGK Alemanha

3

Peso molecular

159.18

Reaxy-Rn

10425408

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10425408&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 Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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: 159.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222.000
• 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

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 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 82121-08-2, the molecular formula is C10H9NO, and the molecular weight is 159.18 g/mol. InChIKey JPVTWKDGBWUNBQ-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.