Introduction:Basic information about CAS 61-94-9|3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochlori, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride (1:1) |
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| CAS Number | 61-94-9 | Molecular Weight | 191.65500 |
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| Density | 1.059g/cm3 | Boiling Point | 209ºC at 760 mmHg |
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| Molecular Formula | C8H14ClNO2 | Melting Point | 157-158 °C |
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| MSDS | / | Flash Point | 81.1ºC |
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Names
| Name | methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate,hydrochloride |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.059g/cm3 |
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| Boiling Point | 209ºC at 760 mmHg |
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| Melting Point | 157-158 °C |
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| Molecular Formula | C8H14ClNO2 |
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| Molecular Weight | 191.65500 |
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| Flash Point | 81.1ºC |
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| Exact Mass | 191.07100 |
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| PSA | 29.54000 |
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| LogP | 1.16120 |
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| Index of Refraction | 1.483 |
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| InChIKey | LQSWCSYIDIBGRR-UHFFFAOYSA-N |
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| SMILES | COC(=O)C1=CCCN(C)C1.Cl |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- QT2150000
- CHEMICAL NAME :
- Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride
- CAS REGISTRY NUMBER :
- 61-94-9
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C8-H13-N-O2.Cl-H
- MOLECULAR WEIGHT :
- 191.68
- WISWESSER LINE NOTATION :
- T6N CUTJ A1 CVO1 &GH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 86870 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 :
- 32 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10400 mg/kg/1Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors
- TYPE OF TEST :
- DNA inhibition
MUTATION DATA - TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 60 mg/kg
- REFERENCE :
- IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 17,1141,1979
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Safety Information
| Hazard Codes | T+ |
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| HS Code | 2933399090 |
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Customs
| HS Code | 2933399090 |
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| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| CCRIS 5223 |
| Arecoline hydrochloride |
| NICOTINIC ACID,1,2,5,6-TETRAHYDRO-1-METHYL-,METHYL ESTER,HYDROCHLORIDE |
| EINECS 200-523-6 |
| methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride |
| Arecoline.HCl |
| methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride(1:1) |