4-Ethynylquinoline - ≥95% , CAS No.62484-52-0

CAS: 62484-52-0 Cat. No.: E185629 Fórmula: C₁₁H₇N Peso molecular: 153.2 Número EC: 893-930-9

CALIDAD & PUREZA ≥95%

Synonyms

MFCD08703535 | FS-3138 | cis-1-N-Boc-3-hydroxy-cyclohexylamine(racemic) | SCHEMBL736202 | DTXSID90487321 | EN300-1858470 | AMY19108 | A1-15194 | AKOS006237148 | SY104985 | 4-Ethynylquinoline | 4-ETHYNYL-QUINOLINE | A868458 | AB48498

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

MFCD08703535 | FS-3138 | cis-1-N-Boc-3-hydroxy-cyclohexylamine(racemic) | SCHEMBL736202 | DTXSID90487321 | EN300-1858470 | AMY19108 | A1-15194 | AKOS006237148 | SY104985 | 4-Ethynylquinoline | 4-ETHYNYL-QUINOLINE | A868458 | AB48498

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C#CC1=CC=NC2=CC=CC=C12

IUPAC Name

4-ethynylquinoline

InChIKey

WRBICKOJBASGMC-UHFFFAOYSA-N

INCHI

1S/C11H7N/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h1,3-8H

Isómeros SMILES

C#CC1=CC=NC2=CC=CC=C12

Peso molecular

153.2

Reaxy-Rn

1306744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1306744&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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: 153.180 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 153.058 Da
• Monoisotopic Mass: 153.058 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 200.000
• 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