Introduction：Basic information about CAS 345909-99-1|Methyl 3-(2H4)pyridinecarboxylate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl 3-(2H4)pyridinecarboxylate |
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| CAS Number | 345909-99-1 | Molecular Weight | 141.161 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 209.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H3D4NO2 | Melting Point | / |
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| MSDS | / | Flash Point | 95.6±0.0 °C |
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Names
| Name | methyl nicotinate-2,4,5,6-d4 |
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| Synonym | More Synonyms |
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Methyl 3-(2H4)pyridinecarboxylate BiologicalActivity
| Description | Methyl nicotinate-d4 is the deuterium labeled Methyl nicotinate[1]. Methyl nicotinate, the methyl ester of Niacin found in alcoholic beverages, that is used as an active ingredient as a rubefacient in over-the-counter topical preparations indicated for muscle and joint pain[2]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology |
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| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. L. Johnston, et al. Muscle and joint pain: topical anti-inflammatories and analgesics: therapeutic. Professional Nursing Today, Volume 17, Issue 1, Jan 2013, p. 4-5. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 209.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H3D4NO2 |
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| Molecular Weight | 141.161 |
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| Flash Point | 95.6±0.0 °C |
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| Exact Mass | 141.072784 |
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| PSA | 39.19000 |
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| LogP | 0.88 |
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| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
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| Index of Refraction | 1.511 |
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| InChIKey | YNBADRVTZLEFNH-QFFDRWTDSA-N |
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| SMILES | COC(=O)c1cccnc1 |
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Synonyms
| 3-Pyridine-d-carboxylic acid, methyl ester |
| Methyl (H)pyridine-3-carboxylate |
| Methyl 3-(H)pyridinecarboxylate |
