Pivalic acid-d9
Pivalic acid-d9 structure
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Common Name | Pivalic acid-d9 | ||
|---|---|---|---|---|
| CAS Number | 42983-07-3 | Molecular Weight | 111.18700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C5HD9O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of Pivalic acid-d9Pivalic acid-d9 is the deuterium labeled Pivalic acid[1]. |
Summary: Trimethyl-d9-acetic acid (Pivalic acid-d9, CAS number: 42983-07-3), molecular formula C5HD9O2, molecular weight 111.18700. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | trimethyl-d9-acetic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Pivalic acid-d9 is the deuterium labeled Pivalic acid[1]. |
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| Related Catalog | |
| 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]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C5HD9O2 |
|---|---|
| Molecular Weight | 111.18700 |
| Exact Mass | 111.12500 |
| PSA | 37.30000 |
| LogP | 1.11710 |
| InChIKey | IUGYQRQAERSCNH-GQALSZNTSA-N |
| SMILES | CC(C)(C)C(=O)O |
| Storage condition | 2-8℃ |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Pivalic acid-d9 CAS#:42983-07-3 |
| Literature: Schwendemann, Todd C.; May, Paul S.; Berry, Mary T.; Hou, Yuqing; Meyers, Cal Y. Journal of Physical Chemistry A, 1998 , vol. 102, # 45 p. 8690 - 8694 |
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Pivalic acid-d9 CAS#:42983-07-3 |
| Literature: Fujisaki, Noboru; Ruf, Amanz; Gaeumann, Tino Journal of the American Chemical Society, 1985 , vol. 107, # 6 p. 1605 - 1610 |
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Pivalic acid-d9 CAS#:42983-07-3 |
| Literature: Janssens; Jin; Zaera Journal of the American Chemical Society, 1997 , vol. 119, # 5 p. 1169 - 1170 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 1 | |
CAS#:5152-54-5This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| pivalic-d9 acid |
| 2,2-dimethylpropanoic acid-d9 |
| Pivalic acid-d9 |
| 2-morpholin-4-yl-2-pyridin-3-yl-pentanedinitrile |
| 3,3,3-trideuterio-2,2-bis-trideuteriomethyl-propionic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of trimethyl-d9-acetic acid? |
| A: InChIKey of trimethyl-d9-acetic acid is IUGYQRQAERSCNH-GQALSZNTSA-N. |
| Q: What are the uses of trimethyl-d9-acetic acid? |
| A: Main uses of trimethyl-d9-acetic acid: Pivalic acid-d9 is the deuterium labeled Pivalic acid[1]. |
| Q: What is the molecular formula of trimethyl-d9-acetic acid? |
| A: Molecular formula of trimethyl-d9-acetic acid is C5HD9O2. |
| Q: What are the storage conditions for trimethyl-d9-acetic acid? |
| A: Storage conditions for trimethyl-d9-acetic acid: 2-8℃. |
| Q: What is the English name of trimethyl-d9-acetic acid? |
| A: The English name of trimethyl-d9-acetic acid is trimethyl-d9-acetic acid. |
| Q: What is the LogP of trimethyl-d9-acetic acid? |
| A: LogP of trimethyl-d9-acetic acid is 1.11710. |
| Q: What are the downstream products of trimethyl-d9-acetic acid? |
| A: Related downstream products(CAS) of trimethyl-d9-acetic acid: 5152-54-5. |
| Q: What is the SMILES notation of trimethyl-d9-acetic acid? |
| A: SMILES notation of trimethyl-d9-acetic acid is CC(C)(C)C(=O)O. |
| Q: What is the molecular weight of trimethyl-d9-acetic acid? |
| A: Molecular weight of trimethyl-d9-acetic acid is 111.18700. |
| Q: What is the CAS number of trimethyl-d9-acetic acid? |
| A: CAS number of trimethyl-d9-acetic acid is 42983-07-3. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |