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

CAS: 72804-93-4 Cat. No.: E344839 Summenformel: C₁₂H₁₃N Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488198669

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 276.9ºC at 760 mmHg
• Molekulargewicht: 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

Häufig gestellte Fragen

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.