2,3-Dihydroquinolin-4(1H)-one hydrochloride - ≥95% , CAS No.71412-22-1

CAS: 71412-22-1 Cat. No.: D589973 Peso molecular: 183.64 Número EC: 275-428-6

GRADE & PURITY ≥95%

Synonyms

1,2,3,4-tetrahydro-4-quinolinone hydrochloride | AB92784 | SC3441 | MFCD11052533 | Z1492781321 | SCHEMBL5512697 | 2,3-dihydro-4-quinolone HCl | 2,3-dihydroquinolin-4(1H)-one hydrochloride | EINECS 275-428-6 | DS-11656 | A6964 | 2,3-dihydro-1H-quinolin-4-o

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1, 2, 3, 4-tetrahydro-4-quinolinone hydrochloride | AB92784 | SC3441 | MFCD11052533 | Z1492781321 | SCHEMBL5512697 | 2, 3-dihydro-4-quinolone HCl | 2, 3-dihydroquinolin-4(1H)-one hydrochloride | EINECS 275-428-6 | DS-11656 | A6964 | 2, 3-dihydro-1H-quinolin-4-o

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CNC2=CC=CC=C2C1=O.Cl
• IUPAC Name: 2,3-dihydro-1H-quinolin-4-one;hydrochloride
• InChIKey: JHCAJDYKLWBXDF-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-4,10H,5-6H2;1H
• Isómeros SMILES: C1CNC2=CC=CC=C2C1=O.Cl
• Peso molecular: 183.64
• Reaxy-Rn: 3701555
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3701555&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 Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinolone - Tetrahydroquinoline - Aryl alkyl ketone - Aryl ketone - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Ketone - Secondary amine - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - 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

Propiedades químicas y físicas

• Peso molecular: 183.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.045 Da
• Monoisotopic Mass: 183.045 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• 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: 2

XLogP3