3-ethenyl-2-methylpyridine - ≥97% , CAS No.45659-55-0

CAS: 45659-55-0 Cat. No.: E176527 Summenformel: C₈H₉N Molekulargewicht: 119.1638

GRADE & PURITY ≥97%

Synonyms

SB16122 | AS-50969 | SCHEMBL935465 | MFCD13175227 | 3-ethenyl-2-methylpyridine | P11579 | 2-Methyl-3-vinylpyridin | SCHEMBL12719709 | SY322169 | EN300-388665 | 2-methyl-3-vinylpyridine | DTXSID60618221 | AKOS030627665

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SB16122 | AS-50969 | SCHEMBL935465 | MFCD13175227 | 3-ethenyl-2-methylpyridine | P11579 | 2-Methyl-3-vinylpyridin | SCHEMBL12719709 | SY322169 | EN300-388665 | 2-methyl-3-vinylpyridine | DTXSID60618221 | AKOS030627665

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1=C(C=CC=N1)C=C
• IUPAC Name: 3-ethenyl-2-methylpyridine
• InChIKey: ZXWNFKKVGPYFRR-UHFFFAOYSA-N
• INCHI: 1S/C8H9N/c1-3-8-5-4-6-9-7(8)2/h3-6H,1H2,2H3
• Isomere SMILES: CC1=C(C=CC=N1)C=C
• Molekulargewicht: 119.1638
• Reaxy-Rn: 15004952
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15004952&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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

• Molekulargewicht: 119.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 119.073 Da
• Monoisotopic Mass: 119.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.700
• 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