(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)methanol - ≥97% , CAS No.121660-11-5

CAS: 121660-11-5 Cat. No.: C586647 Peso molecular: 293.34 Número EC: 601-797-3

GRADE & PURITY ≥97%

Synonyms

DTXSID60431270 | AKOS002665304 | DS-12057 | 3-Quinolinemethanol, 2-cyclopropyl-4-(4-fluorophenyl)- | AKOS015900378 | (2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-yl)methanol | 4-Bromo-2,5dimethoxyphenethylamine | 2-Cyclopropyl-4-(4-fluorophenyl)-3-quinoli

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DTXSID60431270 | AKOS002665304 | DS-12057 | 3-Quinolinemethanol, 2-cyclopropyl-4-(4-fluorophenyl)- | AKOS015900378 | (2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-yl)methanol | 4-Bromo-2, 5dimethoxyphenethylamine | 2-Cyclopropyl-4-(4-fluorophenyl)-3-quinoli

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC1C2=NC3=CC=CC=C3C(=C2CO)C4=CC=C(C=C4)F
• IUPAC Name: [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methanol
• InChIKey: FIZDBNPUFMDGFZ-UHFFFAOYSA-N
• INCHI: 1S/C19H16FNO/c20-14-9-7-12(8-10-14)18-15-3-1-2-4-17(15)21-19(13-5-6-13)16(18)11-22/h1-4,7-10,13,22H,5-6,11H2
• Isómeros SMILES: C1CC1C2=NC3=CC=CC=C3C(=C2CO)C4=CC=C(C=C4)F
• Peso molecular: 293.34
• Reaxy-Rn: 6149867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6149867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 4-phenylpyridine - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Aromatic alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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: 293.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.122 Da
• Monoisotopic Mass: 293.122 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 378.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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