Introduction：Basic information about CAS 1189865-34-6|Diethyl (2H9)butylmalonate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Diethyl (2H9)butylmalonate |
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| CAS Number | 1189865-34-6 | Molecular Weight | 225.330 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 237.5±0.0 °C at 760 mmHg |
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| Molecular Formula | C11H11D9O4 | Melting Point | / |
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| MSDS | / | Flash Point | 93.9±0.0 °C |
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Names
| Name | Diethyl 2-n-Butylmalonate-d9 |
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| Synonym | More Synonyms |
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Diethyl (2H9)butylmalonate BiologicalActivity
| Description | Diethyl butylmalonate-d9 is the deuterium labeled Diethyl butylmalonate[1]. Diethyl butylmalonate exhibits toxicity to T. pyriformis, with a log(IGC50-1) of 0.557[2]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
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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]. T I Netzeva, et al. Partial least squares modelling of the acute toxicity of aliphatic compounds to Tetrahymena pyriformis. SAR QSAR Environ Res. 2003 Aug;14(4):265-83. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 237.5±0.0 °C at 760 mmHg |
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| Molecular Formula | C11H11D9O4 |
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| Molecular Weight | 225.330 |
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| Flash Point | 93.9±0.0 °C |
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| Exact Mass | 225.192657 |
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| PSA | 52.60000 |
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| LogP | 2.64 |
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| Vapour Pressure | 0.0±0.4 mmHg at 25°C |
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| Index of Refraction | 1.433 |
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| InChIKey | RPNFNBGRHCUORR-GQWSVURBSA-N |
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| SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
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Synonyms
| Diethyl (H)butylmalonate |
| Propanedioic acid, 2-(butyl-d)-, diethyl ester |
| diethyl 2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)propanedioate |
