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

CAS: 62484-52-0 Cat. No.: E185629 Formule: C₁₁H₇N Poids moléculaire: 153.2 Numéro CE: 893-930-9

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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