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1-(2-Ethoxy-2-oxoethyl)pyridin-1-ium bromide - 98%, high purity , CAS No.17282-40-5

COA

Grade & Purity:

≥98%

Cas Number: 17282-40-5
Molecular Weight: 246.1
PubChem CID: 87028

In stock

Item Number

E191523

Grouped product items
SKU	Size	Availability	Price	Qty
E191523-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
E191523-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$94.90

Basic Description

Synonyms	17282-40-5 \| 1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide \| 1-(2-ethoxy-2-oxoethyl)pyridinium bromide \| Ethoxycarbonylmethylpyridinium bromide \| Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide \| ethyl 2-pyridin-1-ium-1-ylacetate;bromide \| N-(ethoxycarbonylmethyl)-pyrid
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid esters
Alternative Parents	Pyridinium derivatives Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid ester - Pyridine - Pyridinium - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic salt - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic bromide salt - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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	ethyl 2-pyridin-1-ium-1-ylacetate;bromide
INCHI	InChI=1S/C9H12NO2.BrH/c1-2-12-9(11)8-10-6-4-3-5-7-10;/h3-7H,2,8H2,1H3;1H/q+1;/p-1
InChIKey	PXBOIFNOMWXDFC-UHFFFAOYSA-M
Smiles	CCOC(=O)C[N+]1=CC=CC=C1.[Br-]
Isomeric SMILES	CCOC(=O)C[N+]1=CC=CC=C1.[Br-]
Molecular Weight	246.1
Reaxy-Rn	3576260
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3576260&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	246.100 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	245.005 Da
Monoisotopic Mass	245.005 Da
Topological Polar Surface Area	30.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141.000
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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