5,7-Dimethyl-4-hydroxyquinoline - ≥98% , CAS No.203626-56-6

CAS: 203626-56-6 Cat. No.: D168390 Formule: C₁₁H₁₁NO Poids moléculaire: 173.21 Numéro CE: 803-157-0

GRADE & PURITY ≥98%

Synonyms

5,7-Dimethyl-4-quinolinol | 4-Quinolinol, 5,7-dimethyl- | 5,7-Dimethylquinolin-4(1H)-one | 5,7-dimethyl-1H-quinolin-4-one | AKOS005142247 | AB05722 | 5,7-Dimethyl-4-hydroxyquinoline, AldrichCPR | SCHEMBL10583550 | 5,7-Dimethyl-4-hydroxyquinoline | DTXSID5

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

5,7-Dimethyl-4-quinolinol | 4-Quinolinol, 5,7-dimethyl- | 5,7-Dimethylquinolin-4(1H)-one | 5,7-dimethyl-1H-quinolin-4-one | AKOS005142247 | AB05722 | 5,7-Dimethyl-4-hydroxyquinoline, AldrichCPR | SCHEMBL10583550 | 5,7-Dimethyl-4-hydroxyquinoline | DTXSID5

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504768552

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768552

Sourires canoniques

CC1=CC(=C2C(=O)C=CNC2=C1)C

IUPAC Name

5,7-dimethyl-1H-quinolin-4-one

InChIKey

HTNWWTAMEUZKJJ-UHFFFAOYSA-N

INCHI

1S/C11H11NO/c1-7-5-8(2)11-9(6-7)12-4-3-10(11)13/h3-6H,1-2H3,(H,12,13)

Isomères SMILES

CC1=CC(=C2C(=O)C=CNC2=C1)C

WGK Allemagne

3

Poids moléculaire

173.21

Reaxy-Rn

19110177

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19110177&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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 173.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• 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: 246.000
• 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