Poly(4-vinylpyridine) - average Mw ~160,000 , CAS No.25232-41-1

CAS: 25232-41-1 Cat. No.: P303219 EC Number: 684-212-4 PubChem CID: 7502

GRADE & PURITY average Mw ~160,000

Synonyms

4-Vinylpyridine, contains 100 ppm hydroquinone as inhibitor, 95% | InChI=1/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H | NSC 18256 | 4-VINYLPYRIDINE | 4-Vinylpyridine (stabilized with HQ) | FT-0619555 | J-516030 | Tox21_303844 | 4-Vinyl pyridine | Pyridine, 4-ethen

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

4-Vinylpyridine, contains 100 ppm hydroquinone as inhibitor, 95% | InChI=1/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H, 1H | NSC 18256 | 4-VINYLPYRIDINE | 4-Vinylpyridine (stabilized with HQ) | FT-0619555 | J-516030 | Tox21_303844 | 4-Vinyl pyridine | Pyridine, 4-ethen

Specifications & Purity

average Mw ~160, 000

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488180465
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180465
• Canonical Smiles: C=CC1=CC=NC=C1
• IUPAC Name: 4-ethenylpyridine
• InChIKey: KFDVPJUYSDEJTH-UHFFFAOYSA-N
• INCHI: 1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
• Isomeric SMILES: C=CC1=CC=NC=C1
• PubChem CID: 7502

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - 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 pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• External Descriptors: a small molecule

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 105.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 105.058 Da
• Monoisotopic Mass: 105.058 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.500
• 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

References

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