8-エチルキノリン , CAS No.19655-56-2

CAS: 19655-56-2 Cat. No.: E344879 分子式: C₁₁H₁₁N 分子量: 157.21

Synonyms

8-Ethylquinoline|8-Ethylquinoline #|Quinoline, 8-ethyl-|8-ETHYL QUINOLINE|Ethylquinoline, 8-|8-Ethyl Quinoline

Storage

2～8℃で保存

Shipped In

濡れた氷

仕様

同義語

8-Ethylquinoline | 8-Ethylquinoline # | Quinoline, 8-ethyl- | 8-ETHYL QUINOLINE | Ethylquinoline, 8- | 8-Ethyl Quinoline

保管条件

2～8℃で保存

入荷

濡れた氷

名前と識別子

パブケム・シド

528762842

カノニカル・スマイル

CCC1=CC=CC2=C1N=CC=C2

IUPAC Name

8-ethylquinoline

InChIKey

WSNATRDCOFYLCB-UHFFFAOYSA-N

INCHI

1S/C11H11N/c1-2-9-5-3-6-10-7-4-8-12-11(9)10/h3-8H,2H2,1H3

異性体SMILES

CCC1=CC=CC2=C1N=CC=C2

分子量

157.21

Reaxy-Rn

114276

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114276&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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 Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 157.210 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 157.089 Da
• Monoisotopic Mass: 157.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 144.000
• 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