2-Methylpyridine N-oxide - CAS 931-19-1
Catalog: |
BB040782 |
Product Name: |
2-Methylpyridine N-oxide |
CAS: |
931-19-1 |
Synonyms: |
2-methyl-1-oxidopyridin-1-ium |
IUPAC Name: | 2-methyl-1-oxidopyridin-1-ium |
Description: | 2-Methylpyridine N-oxide (CAS# 931-19-1) is a useful building block for organic synthesis. |
Molecular Weight: | 109.13 |
Molecular Formula: | C6H7NO |
Canonical SMILES: | CC1=CC=CC=[N+]1[O-] |
InChI: | InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 |
InChI Key: | CFZKDDTWZYUZKS-UHFFFAOYSA-N |
Boiling Point: | 259-261 °C |
Melting Point: | 46-50 °C |
Purity: | 95 % |
Density: | 1.01 g/cm3 |
Appearance: | Crystals |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. |
MDL: | MFCD00006199 |
LogP: | 1.42350 |
GHS Hazard Statement: | H315 (90.7%): 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 |
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PMID | Publication Date | Title | Journal |
19086889 | 20090119 | Lanthanide(III) complexes of pyridine-N-oxide analogues of DOTA in solution and in the solid state. A new kind of isomerism in complexes of DOTA-like ligands | Inorganic chemistry |
19090686 | 20090119 | Pyridine-N-oxide analogues of DOTA and their gadolinium(III) complexes endowed with a fast water exchange on the square-antiprismatic isomer | Inorganic chemistry |
15792495 | 20050404 | New oxorhenium(V) compound for catalyzed oxygen atom transfer from picoline N-oxide to triarylphosphines | Inorganic chemistry |
15465335 | 20041101 | Design, synthesis, and biological activity of non-amidine factor Xa inhibitors containing pyridine N-oxide and 2-carbamoylthiazole units | Bioorganic & medicinal chemistry |
15206886 | 20040628 | Multielectron atom transfer reactions of perchlorate and other substrates catalyzed by rhenium oxazoline and thiazoline complexes: reaction kinetics, mechanisms, and density functional theory calculations | Inorganic chemistry |
Complexity: | 74.9 |
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: | 0.3 |
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