(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethanol - ≥90% , CAS No.1263166-90-0

CAS: 1263166-90-0 Cat. No.: B164457 Peso molecular: 150.22 Beilstein Registry Number: 21037713 Número EC: 964-382-9

GRADE & PURITY ≥90%

Synonyms

exo BCN-H | exo-Bicyclo[6.1.0]non-4-yn-9-ylmethanol | rel-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethanol | [(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methanol | Bicyclo[6.1.0]non-4-yne-9-methanol, (1alpha,8alpha,9alpha)- | MFCD19705414 | ((1R,8S,9r)-Bicyclo[

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

227,228,229

Descripción general

Alcohol functionalized cyclooctyne derivative. Cyclooctynes are useful in strain-promoted copper-free azide-alkyne cycloaddition reactions. This strained cyclooctyne will react with azide functionalized compounds or biomolecules without the need for a copper catalyst to result in a stable triazole linkage.

Specifications

Sinónimos

exo BCN-H | exo-Bicyclo[6.1.0]non-4-yn-9-ylmethanol | rel-(1R, 8S, 9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethanol | [(1R, 8S, 9S)-bicyclo[6.1.0]non-4-yn-9-yl]methanol | Bicyclo[6.1.0]non-4-yne-9-methanol, (1alpha, 8alpha, 9alpha)- | MFCD19705414 | ((1R, 8S, 9r)-Bicyclo[

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504771172
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771172
• Sonrisas canónicas: C1CC2C(C2CO)CCC#C1
• IUPAC Name: [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methanol
• InChIKey: NSVXZMGWYBICRW-ULKQDVFKSA-N
• INCHI: 1S/C10H14O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h8-11H,3-7H2/t8-,9+,10?
• Isómeros SMILES: C1C[C@@H]2[C@@H](C2CO)CCC#C1
• Peso molecular: 150.22
• Beilstein: 21037713
• Reaxy-Rn: 22600095
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22600095&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

• Sensibilidad: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Punto de fusión (°C): 64 °C
• Peso molecular: 150.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.104 Da
• Monoisotopic Mass: 150.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 189.000
• 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: 1