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Cas Database |
| Name |
Nicotine-N'-oxide |
EINECS | N/A |
| CAS No. | 491-26-9 | Density | N/A |
| PSA | 42.32000 | LogP | 1.81970 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H14N2O | Boiling Point | N/A |
| Molecular Weight | 178.234 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intravenous route. Moderately toxic by subcutaneous route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A poison. |
| Synonyms |
nicotine-N-oxide;nicotine 1'-oxide;(1'S,2'S)-NICOTINE 1'-OXIDE;3-(1-methyl-1-oxy-pyrrolidin-2-yl)-pyridine;3-(1-Methyl-1-oxy-pyrrolidin-2-yl)-pyridin; |
Article Data | 11 |
Nicotine-N'-oxide Chemical Properties
Molecule structure of Nicotine-N'-oxide (CAS NO.491-26-9) :
IUPAC Name: 3-[(2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine
Molecular Weight: 178.23096 g/mol
Molecular Formula: C10H14N2O
XLogP3-AA: 0.7
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 178.110613
MonoIsotopic Mass: 178.110613
Topological Polar Surface Area: 36
Heavy Atom Count: 13
Complexity: 186
Defined Atom StereoCenter Count: 1
Undefined Atom StereoCenter Count: 1
Canonical SMILES: C[N+]1(CCCC1C2=CN=CC=C2)[O-]
Isomeric SMILES: C[N+]1(CCC[C@H]1C2=CN=CC=C2)[O-]
InChIKey of Nicotine-N'-oxide (CAS NO.491-26-9) : RWFBQHICRCUQJJ-NUHJPDEHSA-N
Nicotine-N'-oxide Toxicity Data With Reference
| 1. | mic-uns 0.098 mg/L/16H | MUREAV Mutation Research. 492 (2001),13. | ||
| 2. | orl-mus LD50:195 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 24 (1961),534. | ||
| 3. | scu-mus LD50:730 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 24 (1961),534. | ||
| 4. | ivn-mus LD50:60 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 24 (1961),534. |
Nicotine-N'-oxide Safety Profile
A poison by intravenous route. Moderately toxic by subcutaneous route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Nicotine-N'-oxide Specification
Nicotine-N'-oxide (CAS NO.491-26-9) is also called Snicotinen1oxide ; (2S)-1-Methyl-2-(3-pyridyl)pyrrolidine 1-oxide ; N-Oxynicotine ; Nicotine 1'-N-oxide ; Oxynicotine ; Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, N-oxide, (2s)- .
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