KetoABNO - ≥95% , CAS No.7123-92-4

CAS: 7123-92-4 Cat. No.: K467387 Peso molecular: 154.19 Número EC: 898-987-3 PubChem CID: 3035050

GRADE & PURITY ≥95%

Synonyms

AKOS017344731 | (3-Oxo-9-azabicyclo[3.3.1]nonan-9-yl)oxidanyl | Norpseudopelleterine-N-oxyl | BBL102702 | KetoABNO, 95% | 3-Oxo-9-azabicyclo(3.3.1)non-9-yloxy | STL556508 | 9-AZabicyclo[3.3.1]nonan-3-oneN-oxyl | DTXSID30991538 | KetoABNO | keto-ABNO | (3-

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Description

Oxidant has been demonstrated in the application of aerobic oxidation of alcholols and amines at room temperature and ambient pressure. This product is also a convenient bench top stable solid.

Specifications

Sinónimos

AKOS017344731 | (3-Oxo-9-azabicyclo[3.3.1]nonan-9-yl)oxidanyl | Norpseudopelleterine-N-oxyl | BBL102702 | KetoABNO, 95% | 3-Oxo-9-azabicyclo(3.3.1)non-9-yloxy | STL556508 | 9-AZabicyclo[3.3.1]nonan-3-oneN-oxyl | DTXSID30991538 | KetoABNO | keto-ABNO | (3-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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: C1CC2CC(=O)CC(C1)N2[O]
• InChIKey: AMZBXNVXJGUYMF-UHFFFAOYSA-N
• INCHI: 1S/C8H12NO2/c10-8-4-6-2-1-3-7(5-8)9(6)11/h6-7H,1-5H2
• Isómeros SMILES: C1CC2CC(=O)CC(C1)N2[O]
• WGK Alemania: 3
• PubChem CID: 3035050
• Peso molecular: 154.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Piperidinone - Cyclic ketone - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
• 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: 154.190 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.087 Da
• Monoisotopic Mass: 154.087 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1