Introduction：Basic information about CAS 494-97-3|(S)-Nornicotine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (S)-Nornicotine |
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| CAS Number | 494-97-3 | Molecular Weight | 148.20500 |
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| Density | 1.043g/cm3 | Boiling Point | 269.999ºC at 760 mmHg |
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| Molecular Formula | C9H12N2 | Melting Point | / |
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| MSDS | / | Flash Point | 111.291ºC |
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Names
| Name | nornicotine |
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| Synonym | More Synonyms |
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(S)-Nornicotine BiologicalActivity
| Description | (S)-Nornicotine is a metabolite of nicotine. |
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| Related Catalog | Natural Products >>AlkaloidResearch Areas >>Others |
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| Target | Human Endogenous Metabolite |
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Chemical & Physical Properties
| Density | 1.043g/cm3 |
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| Boiling Point | 269.999ºC at 760 mmHg |
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| Molecular Formula | C9H12N2 |
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| Molecular Weight | 148.20500 |
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| Flash Point | 111.291ºC |
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| Exact Mass | 148.10000 |
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| PSA | 24.92000 |
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| LogP | 1.83490 |
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| Vapour Pressure | 0.007mmHg at 25°C |
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| Index of Refraction | 1.536 |
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| InChIKey | MYKUKUCHPMASKF-VIFPVBQESA-N |
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| SMILES | c1cncc(C2CCCN2)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- QS6405000
- CHEMICAL NAME :
- Nicotine, 1'-demethyl-, (S)-
- CAS REGISTRY NUMBER :
- 494-97-3
- BEILSTEIN REFERENCE NO. :
- 0081968
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C9-H12-N2
- MOLECULAR WEIGHT :
- 148.23
- WISWESSER LINE NOTATION :
- T6NJ C- BT5MTJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 23500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 14660 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3409 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >13700 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 2500 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 124,281,1983
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| (S)-3-(Pyrrolidin-2-yl)pyridine |
| 3-(2-Pyrrolidinyl)pyridine |
| 3-(2S)-2-pyrrolidinylpyridine |
| (S)-Nornicotine |
| 3-[(2S)-pyrrolidin-2-yl]pyridine |
