2-Hydroxy-2-azaadamantane - ≥98%(GC)(T) , CAS No.1155843-79-0

CAS: 1155843-79-0 Cat. No.: H157075 Fórmula: C₉H₁₅NO Peso molecular: 153.23 Número EC: 859-193-2

GRADE & PURITY ≥98%(GC)(T)

Synonyms

['AZADOL', '®']

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

['AZADOL', '®']

Especificaciones y pureza

≥98%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)(T)

Nombres e identificadores

Sonrisas canónicas

C1C2CC3CC1CC(C2)N3O

IUPAC Name

2-hydroxy-2-azatricyclo[3.3.1.13,7]decane

InChIKey

SFXINVPZIZMFHM-UHFFFAOYSA-N

INCHI

1S/C9H15NO/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9,11H,1-5H2

Isómeros SMILES

C1C2CC3CC1CC(C2)N3O

Peso molecular

153.23

Reaxy-Rn

21286916

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21286916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: N-organohydroxylamines Azacyclic compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Piperidine - Azacycle - N-organohydroxylamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon 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: 153.220 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 153.115 Da
• Monoisotopic Mass: 153.115 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• 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