8-Ethynylquinoline - ≥95% , CAS No.103987-81-1

CAS: 103987-81-1 Cat. No.: E189458 Fórmula: C₁₁H₇N Peso molecular: 153.18 Número CE: 893-938-2

GRAU & PUREZA ≥95%

Synonyms

SY105564 | 8-quinolylethyne | FS-3575 | 8-Ethynyl quinoline | BCP10619 | AMY26947 | AKOS010651490 | 8-ETHYNYLQUINOLINE | A1-18124 | A896318 | SCHEMBL737516 | MFCD08703597 | DTXSID90693485 | PBKFDEMENCIDDQ-UHFFFAOYSA-N | EN300-1254850 | DS-2092 | Quinoline

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

SY105564 | 8-quinolylethyne | FS-3575 | 8-Ethynyl quinoline | BCP10619 | AMY26947 | AKOS010651490 | 8-ETHYNYLQUINOLINE | A1-18124 | A896318 | SCHEMBL737516 | MFCD08703597 | DTXSID90693485 | PBKFDEMENCIDDQ-UHFFFAOYSA-N | EN300-1254850 | DS-2092 | Quinoline

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

C#CC1=CC=CC2=C1N=CC=C2

IUPAC Name

8-ethynylquinoline

InChIKey

PBKFDEMENCIDDQ-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C#CC1=CC=CC2=C1N=CC=C2

Peso molecular

153.18

Reaxy-Rn

1306743

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1306743&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
• Descrição: 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

Propriedades químicas e 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