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1-(10,12-Pentacosadiynyl)pyridinium Bromide - N：2.65 to 3.00 %, high purity , CAS No.94598-31-9

COA

Grade & Purity:

N：2.65 to 3.00 %

Cas Number: 94598-31-9
Molecular Weight: 502.63
MDL number: MFCD00059097
PubChem CID: 44630452

In stock

Item Number

P404847

Grouped product items
SKU	Size	Availability	Price	Qty
P404847-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$123.90
P404847-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$340.90

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Pyridines (1259) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	MFCD29477571 \| 1-pentacosa-10,12-diynylpyridin-1-ium;bromide \| SCHEMBL15361560 \| 1-(10,12-Pentacosadiynyl)pyridinium Bromide , \| AKOS015833044 \| 1-(10,12-Pentacosadiynyl)pyridinium Bromide \| D92062 \| 1-(PENTACOSA-10,12-DIYN-1-YL)PYRIDIN-1-IUM BROMIDE \| DT
Specifications & Purity	N：2.65 to 3.00 %
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinium derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinium derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinium derivatives
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	1-pentacosa-10,12-diynylpyridin-1-ium;bromide
INCHI	InChI=1S/C30H48N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-31-29-26-24-27-30-31;/h24,26-27,29-30H,2-12,17-23,25,28H2,1H3;1H/q+1;/p-1
InChIKey	LFHYKFKTMZUGQC-UHFFFAOYSA-M
Smiles	CCCCCCCCCCCCC#CC#CCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
Isomeric SMILES	CCCCCCCCCCCCC#CC#CCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
PubChem CID	44630452
Molecular Weight	502.63

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light Sensitive,Hygroscopic,Heat Sensitive
Molecular Weight	502.600 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	20
Exact Mass	501.297 Da
Monoisotopic Mass	501.297 Da
Topological Polar Surface Area	3.900 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	502.000
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	2

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