2-Methylpyridine(NSC 3409) - ≥99% , CAS No.109-06-8

CAS: 109-06-8 Cat. No.: M108694 Fórmula: C₆H₇N Peso molecular: 93.13 Beilstein Registry Number: 104581 Número EC: 203-643-7

CALIDAD & PUREZA ≥99%

Synonyms

Z104472800 | DTXCID001899 | RCRA waste no. U191 | .alpha.-Methylpyridine | EINECS 203-643-7 | Picoline, .alpha. | EC 203-643-7 | Picoline | PICOLINE, ALPHA | F0001-0192 | Pyridine, 2-methyl- | 2-Mepy | BCP26524 | DTXSID9021899 | Pyridine-2,3,4,5-d4,6-(met

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

Z104472800 | DTXCID001899 | RCRA waste no. U191 | .alpha.-Methylpyridine | EINECS 203-643-7 | Picoline, .alpha. | EC 203-643-7 | Picoline | PICOLINE, ALPHA | F0001-0192 | Pyridine, 2-methyl- | 2-Mepy | BCP26524 | DTXSID9021899 | Pyridine-2,3,4,5-d4,6-(met

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488180634

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180634

Sonrisas canónicas

CC1=CC=CC=N1

IUPAC Name

2-methylpyridine

InChIKey

BSKHPKMHTQYZBB-UHFFFAOYSA-N

INCHI

1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3

Isómeros SMILES

CC1=CC=CC=N1

WGK Alemania

1

RTECS

TJ4900000

Número ONU

2313

Grupo de embalaje

III

Peso molecular

93.13

Beilstein

104581

Reaxy-Rn

104581

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104581&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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: methylpyridine

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

Objetivos asociados (humanos)

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: It is miscible with water and soluble in most organic solvents.
• Sensibilidad: Light sensitive.Air sensitive
• Índice de refracción: 1.501
• Punto de inflamación (°F): 77℉
• Punto de inflamación (°C): 25℃
• Punto de ebullición (°C): 128-129°C
• Punto de fusión (°C): -70°C
• Peso molecular: 93.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 93.0578 Da
• Monoisotopic Mass: 93.0578 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.100
• 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