3-benzyl-3-azabicyclo[3.2.1]octan-8-one - ≥97% , CAS No.83507-33-9

CAS: 83507-33-9 Cat. No.: B177554 Peso molecular: 215.29

GRADE & PURITY ≥97%

Synonyms

(1R,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-one | C14H17NO | 3-benzyl-3-aza-bicyclo [3.2.1]octane-8-one | AM81207 | SCHEMBL1514852 | J-511757 | 3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-one | A1-02712 | A26169 | 3-Benzyl-3-azabicylo[3.2.1]octan-8-one | 3-Benz

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(1R, 5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-one | C14H17NO | 3-benzyl-3-aza-bicyclo [3.2.1]octane-8-one | AM81207 | SCHEMBL1514852 | J-511757 | 3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-one | A1-02712 | A26169 | 3-Benzyl-3-azabicylo[3.2.1]octan-8-one | 3-Benz

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: C1CC2CN(CC1C2=O)CC3=CC=CC=C3
• IUPAC Name: 3-benzyl-3-azabicyclo[3.2.1]octan-8-one
• InChIKey: DCDAOVIVXGHHHU-UHFFFAOYSA-N
• INCHI: 1S/C14H17NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
• Isómeros SMILES: C1CC2CN(CC1C2=O)CC3=CC=CC=C3
• Peso molecular: 215.29
• Reaxy-Rn: 7024797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7024797&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Piperidinones Azepanes Aralkylamines Trialkylamines Ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Azepane - Piperidinone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring 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: 215.290 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.131 Da
• Monoisotopic Mass: 215.131 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• 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