Polypyrrole

Product Information

Molecular Formula:
(C4H5N)n
Description
PPy is mainly used in the fabrication of a variety of electrochemical devices which include supercapacitors, chemical sensors, dye sensitized solar cells and lithium-ion batteries.
Conducting polymer.
Conductive additive for thermoplasitics and thermosets.
Synonyms
1H-Pyrrole, homopolymer; Pyrrole, polymers; Pyrrole polymer; Pyrrole homopolymer; Lutamer P 160; PPY 12; Lutamer ES 9567; Poly(1H-pyrrole); ST-Poly; Basotronic PYR; Polyazole; Coreron YE; HMDI-pyrrole graft copolymer
Canonical SMILES
C1=CNC=C1
InChI
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChI Key
KAESVJOAVNADME-UHFFFAOYSA-N
Boiling Point
129.7°C
Melting Point
>300°C
Flash Point
Not applicable
Density
0.99g/cm3
Solubility
insoluble in water
Appearance
Grey to black powder
Application
Found in coal tar and bone oil; Used as an intermediate (pharmaceuticals, dyes, herbicides, and perfumes) and curing agent for resins.
Storage
RT
Refractive Index
1.5085 at 20 °C
Stability
DARKENS ON STANDING WITH EXPOSURE TO AIR.
LogP
log Kow = 0.75
Vapor Pressure
8.36 [mmHg]
Henry's Law Constant
1.80X10-5 atm-cu m/mol @ 25 °C
Decomposition
WHEN HEATED TO DECOMPOSITION IT EMITS HIGHLY TOXIC FUMES OF NITROXIDES.
Dissociation Constants
pKa= 17.5
Odor
Agreeable empyreumatic odor resembling that of chloroform

Safety Information

Hazards
H351
Precautionary Statement
P281
Signal Word
Warning

Computed Properties

XLogP3
0.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
67.042199164 g/mol
Monoisotopic Mass
67.042199164 g/mol
Topological Polar Surface Area
15.8Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
22.8
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-2021017322-A1 Uretdione-containing polyurethane-dispersions comprising hydrophilic groups 2018-03-23
US-2020055852-A1 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof 2016-10-14
US-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof 2016-10-14
WO-2015155753-A2 Novel linkers and their uses in specific conjugation of drugs to a biological molecule 2015-08-10
US-2015314017-A1 Disulfur bridge linkers for conjugation of a cell-binding molecule 2015-07-15
WO-2015151081-A2 Bridge linkers for conjugation of a cell-binding molecule 2015-07-12
WO-2015151080-A2 Specific conjugation of a cell-binding molecule 2015-07-04
WO-2015151079-A2 Auristatin analogues and their conjugates with cell-binding molecules 2015-06-20
WO-2015151078-A2 Hydrophilic linkers for conjugation 2015-06-15
WO-2015138305-A1 Thermoplastic polymer compositions 2015-02-10

Literatures

PMID Publication Date Title Journal
36005476 2022-09-08 Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction Journal of medicinal chemistry
34521260 2022-01-01 Time course of efficacy of atogepant for the preventive treatment of migraine: Results from the randomized, double-blind ADVANCE trial Cephalalgia : an international journal of headache
34583982 2021-12-01 Discovery and Pharmacological Characterization of JNJ-64619178, a Novel Small-Molecule Inhibitor of PRMT5 with Potent Antitumor Activity Molecular cancer therapeutics
34560126 2021-10-01 Roles of autophagy in relation to mitochondrial stress responses of HeLa cells to lamellarin cytotoxicity Toxicology
33757798 2021-08-01 A phase 2a randomized, placebo-controlled study to evaluate the efficacy and safety of the oral Janus kinase inhibitors ritlecitinib and brepocitinib in alopecia areata: 24-week results Journal of the American Academy of Dermatology
33610563 2021-07-01 CM082, a novel VEGF receptor tyrosine kinase inhibitor, can inhibit angiogenesis in vitro and in vivo Microvascular research
34081466 2021-06-24 Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor Journal of medicinal chemistry
33876936 2021-05-13 Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series Journal of medicinal chemistry
32770730 2021-05-01 Early Clinical Experience With AZD4831, A Novel Myeloperoxidase Inhibitor, Developed for Patients With Heart Failure With Preserved Ejection Fraction Clinical and translational science
33575850 2021-04-01 More than additive effects on liver triglyceride accumulation by combinations of steatotic and non-steatotic pesticides in HepaRG cells Archives of toxicology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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