compound introduction
3-甲基吡啶-N-氧化物已在烟草(Nicotiana tabacum)中有报道，有数据可用。
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3-methyl-1-oxidopyridin-1-ium
Dangerous GoodsCAS number：1003-73-2 molecular formula：C6H7NO
overview
Specs
| Chinese alias | 3-甲基吡啶氧化物、3-甲基吡啶N-氧化物、3-甲基氧化吡啶 | ||
| English alias | .beta.-Picoline N-oxide | AI3-60113 | .beta.-Picoline 1-oxide | SY020469 | beta-Picoline 1-oxide | beta-Picoline N-oxide | YA9Q5YUG2M | STR00249 | NSC 18254 | FT-0622935 | UNII-YA9Q5YUG2M | 3-methyl-1-oxidanidyl-pyridin-1-ium | W-108965 | PYRIDINE, 3-METH | ||
| CAS number | 1003-73-2 | molecular formula | C6H7NO |
| molecular weight | 109.13 | Exact mass | ≥98% |
| PSA | 25.5 | logp | 0.2 |
numbering system
| CAS | 1003-73-2 |
| UNII | YA9Q5YUG2M |
| Wikidata | Q72499423 |
| NSC Number | NSC Number: NSC18254 |
| PubChem CID | 13858 |
| Nikkaji Number | J110.372E |
| DSSTox Substance ID | DTXSID3037258 |
| European Community (EC) Number | 213-714-4 |
| PubChem Reference Collection SID | 505500735 |
physicochemical properties
| XLogP3 | XLogP3-AA: 0.2 |
| Complexity | 74.9 |
| Exact Mass | 109.052763847 |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Molecular Weight | 109.13 |
| Monoisotopic Mass | 109.052763847 |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 0 |
| Dissociation Constants | iupacpka |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Topological Polar Surface Area | 25.5 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Ecotoxicity Values：
USDA APHIS Chemical Effects: collection=usda_chemeffect&query_type=synonym&query='^1003-73-2$'
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Pyridine, 3-methyl-, 1-oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
STOT SE 3 (93.5%)
Production methods and uses
No production method and use information yet
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
