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

CAS: 109-06-8 Cat. No.: M108694 Formule: C₆H₇N Poids moléculaire: 93.13 Beilstein Registry Number: 104581 Numéro CE: 203-643-7

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488180634

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CC1=CC=CC=N1

WGK Allemagne

1

RTECS

TJ4900000

Numéro ONU

2313

Groupe d'emballage

III

Poids moléculaire

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
    • Classe Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: It is miscible with water and soluble in most organic solvents.
• Sensibilité: Light sensitive.Air sensitive
• Indice de réfraction: 1.501
• Point d'éclair (°F): 77℉
• Point d'éclair (°C): 25℃
• Point d'ébullition (°C): 128-129°C
• Point de fusion (°C): -70°C
• Poids moléculaire: 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