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N-Butylpyridinium Trifluoromethanesulfonate - ≥98%, high purity , CAS No.390423-43-5

COA

Grade & Purity:

≥98%

Cas Number: 390423-43-5
Molecular Weight: 285.29
PubChem CID: 2734248

In stock

Item Number

N770263

Grouped product items
SKU	Size	Availability	Price
N770263-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
N770263-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
N770263-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

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 Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - 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-butylpyridin-1-ium;trifluoromethanesulfonate
INCHI	InChI=1S/C9H14N.CHF3O3S/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)8(5,6)7/h4-6,8-9H,2-3,7H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey	BEFWDPZVLOCGRP-UHFFFAOYSA-M
Smiles	CCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES	CCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]
Alternate CAS	390423-43-5
PubChem CID	2734248
Molecular Weight	285.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	285.290 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	285.065 Da
Monoisotopic Mass	285.065 Da
Topological Polar Surface Area	69.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	219.000
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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