1-Butylpyridinium chloride - CAS 1124-64-7

Name: 1-Butylpyridinium chloride
Brand: BOC Sciences
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Catalog:	BB002980
Product Name:	1-Butylpyridinium chloride
CAS:	1124-64-7
Synonyms:	1-butylpyridin-1-ium;chloride; 1-butylpyridin-1-ium;chloride

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Computed Properties

IUPAC Name:	1-butylpyridin-1-ium;chloride
Description:	1-Butylpyridinium chloride (CAS# 1124-64-7) is a useful research chemical.
Molecular Weight:	171.67
Molecular Formula:	C9H14ClN
Canonical SMILES:	CCCC[N+]1=CC=CC=C1.[Cl-]
InChI:	InChI=1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChI Key:	POKOASTYJWUQJG-UHFFFAOYSA-M
Melting Point:	162 °C
Purity:	> 98.0 % (T)
Appearance:	White to off-white crystals
Storage:	Store under inert gas
MDL:	MFCD00060047
LogP:	-1.22180

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Related Functional Groups

Pyridines

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2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[942206-23-7]C5H2Cl2IN
2,5-Dichloro-3-iodopyridine
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Signal Word:	Warning

Publication Number	Title	Priority Date
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CN-112608289-A	Method for efficiently preparing 5-hydroxymethylfurfural by catalyzing bio-based fructose through organic solvent-ionic liquid composite system	20201221

PMID	Publication Date	Title	Journal
21808767	20110914	Oscillating electrochemical reaction in copper-containing imidazolium ionic liquids	Physical chemistry chemical physics : PCCP
21646436	20110901	Characterization of the inhibitory effects of N-butylpyridinium chloride and structurally related ionic liquids on organic cation transporters 1/2 and human toxic extrusion transporters 1/2-k in vitro and in vivo	Drug metabolism and disposition: the biological fate of chemicals
21238426	20110415	Study of interactions between DNA and aflatoxin B1 using electrochemical and fluorescence methods	Analytical biochemistry
19171679	20090401	Characterization of the disposition and toxicokinetics of N-butylpyridinium chloride in male F-344 rats and female B6C3F1 mice and its transport by organic cation transporter 2	Drug metabolism and disposition: the biological fate of chemicals
19166808	20090315	Biosensor based on the biocatalysis of microperoxidase-11 in nanocomposite material of multiwalled carbon nanotubes/room temperature ionic liquid for amperometric determination of hydrogen peroxide	Analytical biochemistry

Complexity:	74.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0814771
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.0814771
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0