4-Hydroxy-2,6-dimethylquinoline - ≥97% , CAS No.15644-82-3

CAS: 15644-82-3 Cat. No.: H470006 Summenformel: C₁₁H₁₁NO Molekulargewicht: 173.21 EG-Nummer: 625-761-1

GRADE & PURITY ≥97%

Synonyms

NCGC00160039-01 | NSC139469 | NSC-139469 | STL131913 | EN300-108368 | 2,6-dimethylquinolin-4(1H)-one | D74571 | KUC100221 | SR-01000485166-1 | 2,6-dimethylquinolin-4-ol | LSWRRPBOJDRHSV-UHFFFAOYSA-N | STK711592 | AB05586 | 2,6-DIMETHYL-4(1H)-QUINOLINONE |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

NCGC00160039-01 | NSC139469 | NSC-139469 | STL131913 | EN300-108368 | 2,6-dimethylquinolin-4(1H)-one | D74571 | KUC100221 | SR-01000485166-1 | 2,6-dimethylquinolin-4-ol | LSWRRPBOJDRHSV-UHFFFAOYSA-N | STK711592 | AB05586 | 2,6-DIMETHYL-4(1H)-QUINOLINONE |

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528760937

Kanonisches Lächeln

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

IUPAC Name

2,6-dimethyl-1H-quinolin-4-one

InChIKey

LSWRRPBOJDRHSV-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

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

Molekulargewicht

173.21

Reaxy-Rn

1526220

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526220&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 Methylpyridines Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Methylpyridine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen 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

Zugehörige Ziele (menschlich)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 283-287°C
• 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: 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