3-(5-Nitropyridin-2-yl)-3,9-diazaspiro[5.5]undecane - ≥95% , CAS No.1211535-03-3

CAS: 1211535-03-3 Cat. No.: N936581 Peso molecular: 276.330

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC12CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]
• IUPAC Name: 3-(5-nitropyridin-2-yl)-3,9-diazaspiro[5.5]undecane
• InChIKey: SYUYQTZIKSWREB-UHFFFAOYSA-N
• INCHI: 1S/C14H20N4O2/c19-18(20)12-1-2-13(16-11-12)17-9-5-14(6-10-17)3-7-15-8-4-14/h1-2,11,15H,3-10H2
• Peso molecular: 276.330

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: Nitroaromatic compounds Dialkylarylamines Aminopyridines and derivatives Piperidines Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Nitroaromatic compound - Dialkylarylamine - Aminopyridine - Piperidine - Pyridine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Azacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• 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: 276.330 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 276.159 Da
• Monoisotopic Mass: 276.159 Da
• Topological Polar Surface Area: 74.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 342.000
• 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