2,3-Dihydroquinolin-4(1H)-one - ≥96% , CAS No.4295-36-7

CAS: 4295-36-7 Cat. No.: D303708 Peso molecular: 147.18

GRADE & PURITY ≥96%

Synonyms

HYOSCYAMINE [VANDF] | AKOS000281769 | A826081 | SCHEMBL68581 | 4(1H)-QUINOLINONE, 2,3-DIHYDRO- | 4-oxo-1,2,3,4-tetrahydroquinoline | Oprea1_697248 | DTXSID30276195 | BCP10083 | AB06711 | FT-0602201 | 1,2,3,4-tetrahydro-4-quinolinone | 1,2,3,4-TETRAHYDROQU

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

HYOSCYAMINE [VANDF] | AKOS000281769 | A826081 | SCHEMBL68581 | 4(1H)-QUINOLINONE, 2, 3-DIHYDRO- | 4-oxo-1, 2, 3, 4-tetrahydroquinoline | Oprea1_697248 | DTXSID30276195 | BCP10083 | AB06711 | FT-0602201 | 1, 2, 3, 4-tetrahydro-4-quinolinone | 1, 2, 3, 4-TETRAHYDROQU

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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

≥96%

Nombres e identificadores

• Pubchem Sid: 504756754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756754
• Sonrisas canónicas: C1CNC2=CC=CC=C2C1=O
• IUPAC Name: 2,3-dihydro-1H-quinolin-4-one
• InChIKey: BUWPZNOVIHAWHW-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-4,10H,5-6H2
• Isómeros SMILES: C1CNC2=CC=CC=C2C1=O
• Peso molecular: 147.18
• Reaxy-Rn: 124654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124654&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 Aryl alkyl ketones Secondary alkylarylamines Benzenoids Vinylogous amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinolone - Tetrahydroquinoline - Aryl ketone - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Ketone - Secondary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol
• Sensibilidad: Air sensitive
• Punto de inflamación (°C): 142.8°C
• Punto de ebullición (°C): 167 °C/8 mmHg
• Punto de fusión (°C): 44 °C
• Peso molecular: 147.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 167.000
• 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