2-cyano-4-methyl-pentanoic acid
2-cyano-4-methyl-pentanoic acid structure
|
Common Name | 2-cyano-4-methyl-pentanoic acid | ||
|---|---|---|---|---|
| CAS Number | 18283-41-5 | Molecular Weight | 141.16800 | |
| Density | 1.062g/cm3 | Boiling Point | 272.8ºC at 760 mmHg | |
| Molecular Formula | C7H11NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 118.8ºC | |
Summary: 2-Cyano-4-methylpentanoic acid (CAS number: 18283-41-5), molecular formula: C7H11NO2. 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 | 2-cyano-4-methylpentanoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.062g/cm3 |
|---|---|
| Boiling Point | 272.8ºC at 760 mmHg |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.16800 |
| Flash Point | 118.8ºC |
| Exact Mass | 141.07900 |
| PSA | 61.09000 |
| LogP | 1.25688 |
| Vapour Pressure | 0.00165mmHg at 25°C |
| Index of Refraction | 1.452 |
| InChIKey | JGUUYTTUQHBFMQ-UHFFFAOYSA-N |
| SMILES | CC(C)CC(C#N)C(=O)O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~96%
2-cyano-4-methy... CAS#:18283-41-5 |
| Literature: PFIZER MANUFACTURING IRELAND; BURRELL, Adam James Musgrave; MARTINEZ, Carlos Alberto; MCDAID, Paul Oliver; O'NEILL, Padraig Mary; WONG, John Wing Patent: WO2012/25861 A1, 2012 ; Location in patent: Page/Page column 23-24 ; WO 2012/025861 A1 |
|
~99%
2-cyano-4-methy... CAS#:18283-41-5 |
| Literature: PFIZER MANUFACTURING IRELAND; BURRELL, Adam James Musgrave; MARTINEZ, Carlos Alberto; MCDAID, Paul Oliver; O'NEILL, Padraig Mary; WONG, John Wing Patent: WO2012/25861 A1, 2012 ; Location in patent: Page/Page column 23 ; WO 2012/025861 A1 |
|
~%
2-cyano-4-methy... CAS#:18283-41-5 |
| Literature: Gershon,H. et al. Journal of Medicinal Chemistry, 1967 , vol. 10, p. 536 - 541 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
CAS#:148553-50-8This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Isobutylmalonsaeure-mononitril |
| 2-Cyan-4-methyl-valeriansaeure |
| Isobutylcyanessigsaeure |
| 2-cyano-4-methyl-valeric acid |
| 3-Methyl-butan-dicarbonsaeure-(1.1)-mononitril |
| 2-CYANO-4-METHYLPENTANOICACID |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-cyano-4-methylpentanoic acid? |
| A: Molecular formula of 2-cyano-4-methylpentanoic acid is C7H11NO2. |
| Q: What is the molecular weight of 2-cyano-4-methylpentanoic acid? |
| A: Molecular weight of 2-cyano-4-methylpentanoic acid is 141.16800. |
| Q: What are the upstream materials of 2-cyano-4-methylpentanoic acid? |
| A: Related upstream materials(CAS) of 2-cyano-4-methylpentanoic acid: 372-09-8;78-84-2;760-58-7;7352-02-5. |
| Q: What is the LogP of 2-cyano-4-methylpentanoic acid? |
| A: LogP of 2-cyano-4-methylpentanoic acid is 1.25688. |
| Q: What is the English name of 2-cyano-4-methylpentanoic acid? |
| A: The English name of 2-cyano-4-methylpentanoic acid is 2-cyano-4-methylpentanoic acid. |
| Q: What is the SMILES notation of 2-cyano-4-methylpentanoic acid? |
| A: SMILES notation of 2-cyano-4-methylpentanoic acid is CC(C)CC(C#N)C(=O)O. |
| Q: What is the boiling point of 2-cyano-4-methylpentanoic acid? |
| A: Boiling point of 2-cyano-4-methylpentanoic acid is 272.8ºC at 760 mmHg. |
| Q: What is the Chinese name of 18283-41-5? |
| A: Chinese name of 18283-41-5 is 18283-41-5. |
| Q: What is the CAS number of 2-cyano-4-methylpentanoic acid? |
| A: CAS number of 2-cyano-4-methylpentanoic acid is 18283-41-5. |
| Q: What is the InChIKey of 2-cyano-4-methylpentanoic acid? |
| A: InChIKey of 2-cyano-4-methylpentanoic acid is JGUUYTTUQHBFMQ-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |