4-Picoline - ≥98% , CAS No.108-89-4

CAS: 108-89-4 Cat. No.: P105226 Molecular Weight: 93.13 Beilstein Registry Number: 104586 EC Number: 203-626-4

GRADE & PURITY ≥98%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

4-Methylpyridine was used in the synthesis of mercury (II) metallacycle.

Specifications

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180628
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180628
• Canonical Smiles: CC1=CC=NC=C1
• IUPAC Name: 4-methylpyridine
• InChIKey: FKNQCJSGGFJEIZ-UHFFFAOYSA-N
• INCHI: 1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
• Isomeric SMILES: CC1=CC=NC=C1
• WGK Germany: 1
• RTECS: UT5425000
• UN Number: 2313
• Packing Group: III
• Molecular Weight: 93.13
• Beilstein: 104586
• Reaxy-Rn: 104586
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104586&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, ethanol and ether.
• Sensitivity: Air Sensitive
• Refractive Index: 1.5037
• Flash Point(°F): 102.2 °F
• Flash Point(°C): 56.7℃
• Boil Point(°C): 144.9°C
• Melt Point(°C): 3.7°C
• Molecular Weight: 93.130 g/mol
• XLogP3: 1.200
• 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: 46.100
• 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

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