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

CAS: 203626-56-6 Cat. No.: D168390 Summenformel: C₁₁H₁₁NO Molekulargewicht: 173.21 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504768552
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768552
• Kanonisches Lächeln: 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)
• Isomere SMILES: CC1=CC(=C2C(=O)C=CNC2=C1)C
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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