8-Ethyl-2-methylquinoline - ≥97% , CAS No.72804-93-4

CAS: 72804-93-4 Cat. No.: E344839 Fórmula: C₁₂H₁₃N Peso molecular: 171.24

GRADE & PURITY ≥97%

Synonyms

MFCD09787884 | 2-METHYL-8-ETHYLQUINOLINE | FT-0722269 | AB52468 | ZPVSAUSAHRIAQM-UHFFFAOYSA-N | AKOS006282115 | SCHEMBL9909149 | 8-Ethyl-2-methylquinoline | DTXSID60560771

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD09787884 | 2-METHYL-8-ETHYLQUINOLINE | FT-0722269 | AB52468 | ZPVSAUSAHRIAQM-UHFFFAOYSA-N | AKOS006282115 | SCHEMBL9909149 | 8-Ethyl-2-methylquinoline | DTXSID60560771

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488198669

Sonrisas canónicas

CCC1=CC=CC2=C1N=C(C=C2)C

IUPAC Name

8-ethyl-2-methylquinoline

InChIKey

ZPVSAUSAHRIAQM-UHFFFAOYSA-N

INCHI

1S/C12H13N/c1-3-10-5-4-6-11-8-7-9(2)13-12(10)11/h4-8H,3H2,1-2H3

Isómeros SMILES

CCC1=CC=CC2=C1N=C(C=C2)C

Peso molecular

171.24

Reaxy-Rn

119543

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119543&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: Methylpyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen 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

• Punto de ebullición (°C): 276.9ºC at 760 mmHg
• Peso molecular: 171.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 171.105 Da
• Monoisotopic Mass: 171.105 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 167.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 72804-93-4, the molecular formula is C12H13N, and the molecular weight is 171.24 g/mol. InChIKey ZPVSAUSAHRIAQM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.