6,6-Dimethyl-3-azabicyclo[3.1.0]hexane - ≥97% , CAS No.943516-54-9

CAS: 943516-54-9 Cat. No.: D489356 Peso molecular: 111.19 Número EC: 619-017-5

GRADE & PURITY ≥97%

Synonyms

6,6-diMethyl-3-azabicyclo[3.1.0]hexane (Hydrochloride) | DTXSID40712413 | SY033500 | DS-17749 | BGOMFPZIMJCRDV-UHFFFAOYSA-N | P11584 | SB20072 | SCHEMBL1569373 | 6,6-DiMethyl-3-azabicyclo[3.1.0]hexane Boceprevir Key interMediate | FT-0696412 | AKOS0063815

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

6, 6-diMethyl-3-azabicyclo[3.1.0]hexane (Hydrochloride) | DTXSID40712413 | SY033500 | DS-17749 | BGOMFPZIMJCRDV-UHFFFAOYSA-N | P11584 | SB20072 | SCHEMBL1569373 | 6, 6-DiMethyl-3-azabicyclo[3.1.0]hexane Boceprevir Key interMediate | FT-0696412 | AKOS0063815

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

• Pubchem Sid: 488201676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201676
• Sonrisas canónicas: CC1(C2C1CNC2)C
• IUPAC Name: 6,6-dimethyl-3-azabicyclo[3.1.0]hexane
• InChIKey: BGOMFPZIMJCRDV-UHFFFAOYSA-N
• INCHI: 1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3
• Isómeros SMILES: CC1(C2C1CNC2)C
• Peso molecular: 111.19
• Reaxy-Rn: 20050185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20050185&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: Pyrrolidines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Piperidine - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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

• Punto de fusión (°C): 24 °C
• Peso molecular: 111.180 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 111.105 Da
• Monoisotopic Mass: 111.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 106.000
• 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