Introduction：Basic information about CAS 33830-12-5|Adamantanecarboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Adamantanecarboxylic acid |
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| CAS Number | 33830-12-5 | Molecular Weight | 180.243 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 304.7±10.0 °C at 760 mmHg |
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| Molecular Formula | C11HD15O2 | Melting Point | / |
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| MSDS | / | Flash Point | 142.0±13.7 °C |
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Names
| Name | adamantane-d15-carboxylic acid |
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| Synonym | More Synonyms |
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Adamantanecarboxylic acid BiologicalActivity
| Description | Adamantane-carboxylic Acid-d15 is the deuterium labeled Adamantane-1-carboxylic acid[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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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. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 304.7±10.0 °C at 760 mmHg |
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| Molecular Formula | C11HD15O2 |
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| Molecular Weight | 180.243 |
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| Flash Point | 142.0±13.7 °C |
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| Exact Mass | 180.115036 |
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| PSA | 37.30000 |
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| LogP | 2.60 |
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| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
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| Index of Refraction | 1.573 |
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| InChIKey | JIMXXGFJRDUSRO-BXSQCBKHSA-N |
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| SMILES | O=C(O)C12CC3CC(CC(C3)C1)C2 |
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Synonyms
| 1-adamantylcarboxylic acid |
| Adamantanecarboxylic acid |
| pentadecadeuterio-adamantane-1-carboxylic acid |
| 1-adamantane-d15-carboxylic acid |
| 7,10-Pentadecadiynoicacid |
| adamantane-1-carboxylic acid |
| Pentadeca-7,10-diynsaeure |
| adamantane carboxylic acid |
| 1-Adamantanecarboxylic acid |
| Tricyclo[3.3.1.1]decane-1-carboxylic acid |
