1,5-Dioxa-9-aza-spiro[5.5]undecane, hydrochloride - ≥95% , CAS No.71879-41-9

CAS: 71879-41-9 Cat. No.: D1249434 PubChem CID: 45158781

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: C1COC2(CCNCC2)OC1.Cl
• IUPAC Name: 1,5-dioxa-9-azaspiro[5.5]undecane;hydrochloride
• InChIKey: CLIKIDHLZKHSAR-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO2.ClH/c1-6-10-8(11-7-1)2-4-9-5-3-8;/h9H,1-7H2;1H
• Isómeros SMILES: C1COC2(CCNCC2)OC1.Cl
• CAS alternativo: 71879-41-9
• PubChem CID: 45158781

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: Ketals Piperidines 1,3-dioxanes Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Ketal - Meta-dioxane - Piperidine - Acetal - Secondary aliphatic amine - Secondary amine - Azacycle - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Amine - Organic oxygen compound - Hydrocarbon derivative - Aliphatic 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: 193.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 193.087 Da
• Monoisotopic Mass: 193.087 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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