4-Nitro-5,6,7,8-tetrahydroquinoline 1-oxide - ≥95% , CAS No.125162-98-3

CAS: 125162-98-3 Cat. No.: N586782 Peso molecular: 194.18

GRADE & PURITY ≥95%

Synonyms

4-Nitro-1-oxo-5,6,7,8-tetrahydro-1lambda~5~-quinoline | Quinoline, 5,6,7,8-tetrahydro-4-nitro-, 1-oxide | 4-nitro-5,6,7,8-tetrahydroquinolin-1-ium-1-olate | SCHEMBL9449722 | 4-nitro-5,6,7,8-tetrahydroquinoline-N-oxide | E84031 | 4-nitro-1-oxido-5,6,7,8-te

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

4-Nitro-1-oxo-5, 6, 7, 8-tetrahydro-1lambda~5~-quinoline | Quinoline, 5, 6, 7, 8-tetrahydro-4-nitro-, 1-oxide | 4-nitro-5, 6, 7, 8-tetrahydroquinolin-1-ium-1-olate | SCHEMBL9449722 | 4-nitro-5, 6, 7, 8-tetrahydroquinoline-N-oxide | E84031 | 4-nitro-1-oxido-5, 6, 7, 8-te

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CCC2=[N+](C=CC(=C2C1)[N+](=O)[O-])[O-]
• IUPAC Name: 4-nitro-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium
• InChIKey: SWSDHCGZLPFBHU-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h5-6H,1-4H2
• Isómeros SMILES: C1CCC2=[N+](C=CC(=C2C1)[N+](=O)[O-])[O-]
• Peso molecular: 194.18
• Reaxy-Rn: 5540555
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5540555&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Nitroaromatic compounds Pyridinium derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Nitroaromatic compound - Pyridine - Pyridinium - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• 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: 194.190 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 194.069 Da
• Monoisotopic Mass: 194.069 Da
• Topological Polar Surface Area: 71.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 229.000
• 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