CAS 1906-79-2 | Pyridinium, 1-ethyl-, bromide (1:1) | CAS Number 1906-79-2

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1906-79-2 | Pyridinium, 1-ethyl-, bromide (1:1)

CAS No: 1906-79-2 Catalog No: AG002ENX MDL No:MFCD00041999

Product Description

Catalog Number:

AG002ENX

Chemical Name:

Pyridinium, 1-ethyl-, bromide (1:1)

CAS Number:

1906-79-2

Molecular Formula:

C7H10BrN

Molecular Weight:

188.0650

MDL Number:

MFCD00041999

IUPAC Name:

1-ethylpyridin-1-ium;bromide

InChI:

InChI=1S/C7H10N.BrH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1

InChI Key:

ABFDKXBSQCTIKH-UHFFFAOYSA-M

SMILES:

CC[n+]1ccccc1.[Br-]

EC Number:

217-607-3

UNII:

N427S02532

Properties

Complexity:

55.4

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.068g/mol

Monoisotopic Mass:

187g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

3.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Toxicity of imidazolium- and pyridinium-based ionic liquids and the co-metabolic degradation of N-ethylpyridinium tetrafluoroborate.	Chemosphere 20110301
Comparative high-speed profiling of carboxylic acid metabolite levels by differential isotope-coded MALDI mass spectrometry.	Analytical chemistry 20090915
Microcalorimetric investigation of DNA, poly(dA)poly(dT) and poly[d(A-C)]poly[d(G-T)] melting in the presence of water soluble (meso tetra (4 N oxyethylpyridyl) porphyrin) and its Zn complex.	Journal of biomolecular structure & dynamics 20080201
An electrostatic gauche effect in beta-fluoro- and beta-hydroxy-N-ethylpyridinium cations.	Angewandte Chemie (International ed. in English) 20070101
Coherent electronic and nuclear dynamics for charge transfer in 1-ethyl-4-(carbomethoxy)pyridinium iodide.	The journal of physical chemistry. B 20061012