exo-3-Azabicyclo[3.2.1]octan-8-ol hydrochloride - ≥97% , CAS No.2089291-70-1

CAS: 2089291-70-1 Cat. No.: A631501 Peso molecular: 163.64

GRADE & PURITY ≥97%

Synonyms

AS-54069 | P17462 | (1R,5S)-3-azabicyclo[3.2.1]octan-8-ol;hydrochloride | AKOS030238545 | (8-syn)-3-Azabicyclo[3.2.1]octan-8-ol hydrochloride | endo-3-azabicyclo[3.2.1]octan-8-ol hcl | (8-anti)-3-Azabicyclo[3.2.1]octan-8-ol hydrochloride | 2089291-70-1 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AS-54069 | P17462 | (1R, 5S)-3-azabicyclo[3.2.1]octan-8-ol;hydrochloride | AKOS030238545 | (8-syn)-3-Azabicyclo[3.2.1]octan-8-ol hydrochloride | endo-3-azabicyclo[3.2.1]octan-8-ol hcl | (8-anti)-3-Azabicyclo[3.2.1]octan-8-ol hydrochloride | 2089291-70-1 |

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC2CNCC1C2O.Cl
• IUPAC Name: (1R,5S)-3-azabicyclo[3.2.1]octan-8-ol;hydrochloride
• InChIKey: YCMFHKGTJWAZSH-VPEOJXMDSA-N
• INCHI: 1S/C7H13NO.ClH/c9-7-5-1-2-6(7)4-8-3-5;/h5-9H,1-4H2;1H/t5-,6+,7?
• Isómeros SMILES: C1C[C@H]2CNC[C@@H]1C2O.Cl
• CAS alternativo: 2089291-70-1
• Peso molecular: 163.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azepanes
• Alternative Parents: Piperidines Secondary alcohols Cyclic alcohols and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azepane - Piperidine - Cyclic alcohol - Secondary alcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with 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: 163.640 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.076 Da
• Monoisotopic Mass: 163.076 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

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