Introduction：Basic information about CAS 121311-78-2|(3,3,4,4-2H4)Hexanedioic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3,3,4,4-2H4)Hexanedioic acid |
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| CAS Number | 121311-78-2 | Molecular Weight | 150.166 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 338.5±15.0 °C at 760 mmHg |
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| Molecular Formula | C6H6D4O4 | Melting Point | / |
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| MSDS | / | Flash Point | 196.1±0.0 °C |
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Names
| Name | hexanedioic-3,3,4,4-d4 acid |
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| Synonym | More Synonyms |
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(3,3,4,4-2H4)Hexanedioic acid BiologicalActivity
| Description | Adipic acid-d4 is the deuterium labeled Adipic acid[1]. Adipic acid is found to be associated with HMG-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism[2]. |
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| Related Catalog | Research Areas >>Metabolic Disease |
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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]. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center. METAGENE consortium. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 338.5±15.0 °C at 760 mmHg |
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| Molecular Formula | C6H6D4O4 |
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| Molecular Weight | 150.166 |
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| Flash Point | 196.1±0.0 °C |
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| Exact Mass | 150.083023 |
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| PSA | 74.60000 |
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| LogP | 0.08 |
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| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
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| Index of Refraction | 1.476 |
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| InChIKey | WNLRTRBMVRJNCN-LNLMKGTHSA-N |
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| SMILES | O=C(O)CCCCC(=O)O |
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Synonyms
| 2,2',3,3',5,5',6,6'-Octafluorazoxybenzol |
| Hexanedioic-3,3,4,4-d acid |
| (3,3,4,4-H)Hexanedioic acid |
| Adipinsaeure-3,3,4,4-d4 |
| 2,2',3,3',5,5',6,6'-octafluoroazoxybenzene |
| 4H,4'H-Octafluorazoxybenzol |
| 2,2,3,3-d4-1,4-Butandicarbonsaeure |
| 3,3,4,4-tetradeuterio-hexanedioic acid |
