4-Methylpyridine N-oxide - CAS 1003-67-4

Catalog:	BB000196
Product Name:	4-Methylpyridine N-oxide
CAS:	1003-67-4
Synonyms:	4-methyl-1-oxidopyridin-1-ium

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-1-oxidopyridin-1-ium
Description:	4-Methylpyridine N-oxide (CAS# 1003-67-4) is a useful research chemical.
Molecular Weight:	109.13
Molecular Formula:	C6H7NO
Canonical SMILES:	CC1=CC=[N+](C=C1)[O-]
InChI:	InChI=1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChI Key:	IWYYIZOHWPCALJ-UHFFFAOYSA-N
Boiling Point:	279.2 °C at 760 mmHg
Purity:	98 %
Density:	1.01 g/cm³
Appearance:	Almost white to brown fine crystalline powder
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00006210
LogP:	1.42350
Vapor Pressure:	0.05 [mmHg]

Publication Number	Title	Priority Date
WO-2021039716-A1	Biological tissue staining reagent, biological tissue staining kit and biological tissue staining method	20190830
EP-3613730-A1	Method for producing pyridine compound	20170419
EP-3524608-A1	Novel pyridine derivative compound or pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition using same	20160930
US-2020190099-A1	Novel pyrimidine derivative compound, pharmaceutically acceptable salt thereof, preparation process thereof, and pharmaceutical composition using the same	20160930
WO-2018062732-A1	Novel pyridine derivative compound or pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition using same	20160930

PMID	Publication Date	Title	Journal
17497888	20070501	Amide-N-oxide heterosynthon and amide dimer homosynthon in cocrystals of carboxamide drugs and pyridine N-oxides	Molecular pharmaceutics
16411660	20060101	Mode of action of poly(vinylpyridine-N-oxide) in preventing silicosis: effective scavenging of carbonate anion radical	Chemical research in toxicology
17497006	20060101	Synthesis, Biological, Spectral, and Thermal Investigations of Cobalt(II) and Nickel(II) Complexes of N-Isonicotinamido -2',4'-Dichlorobenzalaldimine	Bioinorganic chemistry and applications
15540241	20041217	On the gas-phase reactivity of complexed OH+ with halogenated alkanes	Chemistry (Weinheim an der Bergstrasse, Germany)
14658859	20031215	A non-radical chain mechanism for oxygen atom transfer with a thiorhenium(V) catalyst	Inorganic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.052763847
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	109.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2