(1S,2S,5S)-2-(Hydroxymethyl)-5-vinylquinuclidine - ≥97% , CAS No.207129-35-9

CAS: 207129-35-9 Cat. No.: H121163 Peso molecular: 167.25 Número EC: 606-607-2

GRADE & PURITY ≥97%

Synonyms

((1S,2S,5S)-5-Vinylquinuclidin-2-yl)methanol | (1S,2R,5R)-5-Vinyl-2-quinuclidinemethanol | (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol | (1S,2S,5S)-5-Vinyl-2-quinuclidinemethanol | [(1S,2S,5S)-5-Vinylquinuclidin-2-yl]methanol | Q0074 | MFCD08276491

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

((1S, 2S, 5S)-5-Vinylquinuclidin-2-yl)methanol | (1S, 2R, 5R)-5-Vinyl-2-quinuclidinemethanol | (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol | (1S, 2S, 5S)-5-Vinyl-2-quinuclidinemethanol | [(1S, 2S, 5S)-5-Vinylquinuclidin-2-yl]methanol | Q0074 | MFCD08276491

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: 504763050
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763050
• Sonrisas canónicas: C=CC1CN2CCC1CC2CO
• IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
• InChIKey: GAFZBOMPQVRGKU-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h2,8-10,12H,1,3-7H2
• Isómeros SMILES: C=CC1CN2CCC1CC2CO
• Peso molecular: 167.25
• Reaxy-Rn: 1449080
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1449080&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinuclidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinuclidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinuclidines
• Alternative Parents: Piperidines Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Quinuclidine - Piperidine - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
• 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

• Rotación específica [α]: +39° (C=1,MeOH)
• Punto de ebullición (°C): 270 °C
• Punto de fusión (°C): 25 °C
• Peso molecular: 167.250 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 167.131 Da
• Monoisotopic Mass: 167.131 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1