3-Methyl-2-p-tolylpyridine - ≥98%(HPLC) , CAS No.64291-96-9

CAS: 64291-96-9 Cat. No.: M290604 Fórmula: C₁₃H₁₃N Peso molecular: 183.25

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-Methyl-2-(p-tolyl)pyridine|64291-96-9|3-methyl-2-(4-methylphenyl)pyridine|EINECS 264-771-7|2-(4-methylphenyl)-3-methylpyridine|SCHEMBL2477267|DTXSID30982845|RYRDKQYQAMRCHF-UHFFFAOYSA-N

Storage

Room temperature

Specifications

Sinónimos

3-Methyl-2-(p-tolyl)pyridine | 64291-96-9 | 3-methyl-2-(4-methylphenyl)pyridine | EINECS 264-771-7 | 2-(4-methylphenyl)-3-methylpyridine | SCHEMBL2477267 | DTXSID30982845 | RYRDKQYQAMRCHF-UHFFFAOYSA-N

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

488194172

Sorrisos canónicos

CC1=CC=C(C=C1)C2=C(C=CC=N2)C

IUPAC Name

3-methyl-2-(4-methylphenyl)pyridine

InChIKey

RYRDKQYQAMRCHF-UHFFFAOYSA-N

INCHI

1S/C13H13N/c1-10-5-7-12(8-6-10)13-11(2)4-3-9-14-13/h3-9H,1-2H3

SMILES isoméricas

CC1=CC=C(C=C1)C2=C(C=CC=N2)C

Peso molecular

183.25

Reaxy-Rn

8679310

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8679310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Toluenes Methylpyridines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Methylpyridine - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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: 183.250 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 170.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 64291-96-9, the molecular formula is C13H13N, and the molecular weight is 183.25 g/mol. InChIKey RYRDKQYQAMRCHF-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.