Introduction：Basic information about CAS 487-19-4|3-(1-Methyl-1H-pyrrol-2-yl)pyridine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(1-Methyl-1H-pyrrol-2-yl)pyridine |
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| CAS Number | 487-19-4 | Molecular Weight | 158.200 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 282.8±15.0 °C at 760 mmHg |
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| Molecular Formula | C10H10N2 | Melting Point | / |
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| MSDS | / | Flash Point | 124.8±20.4 °C |
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Names
| Name | β-Nicotyrine |
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| Synonym | More Synonyms |
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3-(1-Methyl-1H-pyrrol-2-yl)pyridine BiologicalActivity
| Description | β-Nicotyrine is a metabolite of Nicotine.β-Nicotyrine, isolated from the leaves of Nicotiana tabacum plants and from cigarette smoke condensate, is a minor tobacco alkaloid[1]. |
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| Related Catalog | Research Areas >>Neurological Disease |
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| References | [1]. Xiaochen Wei, et al. An Improved Synthesis of β-Nicotyrine from the Dehydrogenation of Nicotine: Comparison of Conventional and Microwave-Assisted Reactions. Synthetic Communications. 2003. Volume 33, Issue 19. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 282.8±15.0 °C at 760 mmHg |
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| Molecular Formula | C10H10N2 |
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| Molecular Weight | 158.200 |
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| Flash Point | 124.8±20.4 °C |
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| Exact Mass | 158.084396 |
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| PSA | 17.82000 |
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| LogP | 1.80 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.581 |
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| InChIKey | RYFOJXFXERAMLS-UHFFFAOYSA-N |
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| SMILES | Cn1cccc1-c1cccnc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UT6130000
- CHEMICAL NAME :
- Pyridine, 3-(1-methyl-2-pyrrolyl)-
- CAS REGISTRY NUMBER :
- 487-19-4
- BEILSTEIN REFERENCE NO. :
- 0121347
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H10-N2
- MOLECULAR WEIGHT :
- 158.22
- WISWESSER LINE NOTATION :
- T6NJ C- BT5NJ A1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4065561
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 575 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4065561
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 191 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 65,366,1982
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Synonyms
| Pyridine, 3-(1-methylpyrrol-2-yl)- |
| Pyridine, 3- (1-methyl-1H-pyrrol-2-yl)- |
| Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)- |
| 3-(1-methylpyrrol-2-yl)pyridine |
| Pyridine, 3- (1-methylpyrrol-2-yl)- |
