4-Hydroxy-2,7,8-trimethylquinoline - ≥97% , CAS No.449199-19-3

CAS: 449199-19-3 Cat. No.: H170417 Peso molecular: 187.24 Número EC: 803-827-2

GRADE & PURITY ≥97%

Synonyms

2,7,8-Trimethylquinolin-4(1H)-one | 4-Hydroxy-2,7,8-trimethylquinoline | 2,7,8-trimethylquinolin-4-ol | UXTKZNADIFVKBK-UHFFFAOYSA-N | UXTKZNADIFVKBK-UHFFFAOYSA- | 2,7,8-Trimethyl-4-quinolinol | MFCD02968777 | STK523742 | SCHEMBL11941841 | CCG-321521 | F30

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2, 7, 8-Trimethylquinolin-4(1H)-one | 4-Hydroxy-2, 7, 8-trimethylquinoline | 2, 7, 8-trimethylquinolin-4-ol | UXTKZNADIFVKBK-UHFFFAOYSA-N | UXTKZNADIFVKBK-UHFFFAOYSA- | 2, 7, 8-Trimethyl-4-quinolinol | MFCD02968777 | STK523742 | SCHEMBL11941841 | CCG-321521 | F30

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759954
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759954
• Sonrisas canónicas: CC1=C(C2=C(C=C1)C(=O)C=C(N2)C)C
• IUPAC Name: 2,7,8-trimethyl-1H-quinolin-4-one
• InChIKey: UXTKZNADIFVKBK-UHFFFAOYSA-N
• INCHI: 1S/C12H13NO/c1-7-4-5-10-11(14)6-8(2)13-12(10)9(7)3/h4-6H,1-3H3,(H,13,14)
• Isómeros SMILES: CC1=C(C2=C(C=C1)C(=O)C=C(N2)C)C
• Peso molecular: 187.24
• Reaxy-Rn: 1527665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1527665&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air & Moisture sensitive
• Peso molecular: 187.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 187.1 Da
• Monoisotopic Mass: 187.1 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 282.000
• 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