Polypyrrole - undoped, extent of labeling: ~20wt. % loading, composite with carbon black , CAS No.30604-81-0

CAS: 30604-81-0 Cat. No.: P485421

Synonyms

EINECS 203-724-7 | PYRROLE [HSDB] | PYRROLE [FHFI] | NSC62777 | NSC-62777 | Q-100054 | CHEBI:19203 | Pyrole | WLN: T5MJ | PYRROLE | pyrrole- | Imidole | PYRROLE [FCC] | PYRROLE-ND | FEMA 3386 | NSC 62777 | NCGC00357161-01 | Pyrrole, Reagent | Pyrrhol | 1-

Storage

Room temperature

Overview

Description

Polypyrrole (PPy) is a conductive and highly stable polymer. It may be prepared by a standard electrochemical technique. PPy may also be prepared by reacting ß-napthalene sulfonic acid (NSA) and ammonium peroxo-disulphate in aqueous medium. The charges on the surfaces can be easily modified by doping the polymer during its synthesis.Solubility and conductivity measurements of PPy doped with camphor sulfonic and dodecyl benzene sulfonic acid has been reported. Electrosensitivity and lower oxidation potential of PPy make it potentially useful for drug delivery, chemical sensors, batteries, ion selective electrodes, biosensor and biochemistry research.5,PPy may be used to prepare cobalt based electrocatalyst for anion exchange membrane fuel cells.Conducting polymer.Conductive additive for thermoplasitics and thermosets.

Specifications

Synonyms

EINECS 203-724-7 | PYRROLE [HSDB] | PYRROLE [FHFI] | NSC62777 | NSC-62777 | Q-100054 | CHEBI:19203 | Pyrole | WLN: T5MJ | PYRROLE | pyrrole- | Imidole | PYRROLE [FCC] | PYRROLE-ND | FEMA 3386 | NSC 62777 | NCGC00357161-01 | Pyrrole, Reagent | Pyrrhol | 1-

Specifications & Purity

undoped, extent of labeling: ~20wt. % loading, composite with carbon black

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1=CNC=C1
• IUPAC Name: 1H-pyrrole
• InChIKey: KAESVJOAVNADME-UHFFFAOYSA-N
• INCHI: 1S/C4H5N/c1-2-4-5-3-1/h1-5H
• Isomeric SMILES: C1=CNC=C1
• RTECS: 8027
• Reaxy-Rn: 1159
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1159&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Pyrroles Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrrole - 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 heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: a pyrrole

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: H2O: insoluble; organic solvents: insoluble
• Melt Point(°C): >300 °C
• Molecular Weight: 67.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 67.0422 Da
• Monoisotopic Mass: 67.0422 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.800
• 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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