1-Pyrimidin-2-yl-piperidin-4-one
1-Pyrimidin-2-yl-piperidin-4-one structure
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Common Name | 1-Pyrimidin-2-yl-piperidin-4-one | ||
|---|---|---|---|---|
| CAS Number | 116247-92-8 | Molecular Weight | 177.20300 | |
| Density | 1.225g/cm3 | Boiling Point | 366.8ºC at 760mmHg | |
| Molecular Formula | C9H11N3O | Melting Point | 73-75ºC | |
| MSDS | USA | Flash Point | 175.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-Pyrimidin-2-yl-piperidin-4-one |
|---|---|
| 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 | 1.225g/cm3 |
|---|---|
| Boiling Point | 366.8ºC at 760mmHg |
| Melting Point | 73-75ºC |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.20300 |
| Flash Point | 175.6ºC |
| Exact Mass | 177.09000 |
| PSA | 46.09000 |
| LogP | 0.71090 |
| Vapour Pressure | 1.43E-05mmHg at 25°C |
| Index of Refraction | 1.568 |
| InChIKey | ORFPLVFPQNNBST-UHFFFAOYSA-N |
| SMILES | O=C1CCN(c2ncccn2)CC1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | 22 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~64%
1-Pyrimidin-2-y... CAS#:116247-92-8 |
| Literature: LEXICON PHARMACEUTICALS, INC. Patent: WO2008/58064 A1, 2008 ; Location in patent: Page/Page column 17 ; WO 2008/058064 A1 |
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1-Pyrimidin-2-y... CAS#:116247-92-8 |
| Literature: WO2008/58064 A1, ; Page/Page column 20 ; WO 2008/058064 A1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 1 | |
CAS#:893755-98-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(2-Pyrimidinyl)tetrahydro-4(1H)-pyridinone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: Boiling point of 1-Pyrimidin-2-yl-piperidin-4-one is 366.8ºC at 760mmHg. |
| Q: What are the upstream materials of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: Related upstream materials(CAS) of 1-Pyrimidin-2-yl-piperidin-4-one: 1722-12-9;41979-39-9;40064-34-4. |
| Q: What is the polar surface area (PSA) of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: Polar surface area (PSA) of 1-Pyrimidin-2-yl-piperidin-4-one is 46.09000. |
| Q: What is the melting point of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: Melting point of 1-Pyrimidin-2-yl-piperidin-4-one is 73-75ºC. |
| Q: What is the SMILES notation of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: SMILES notation of 1-Pyrimidin-2-yl-piperidin-4-one is O=C1CCN(c2ncccn2)CC1. |
| Q: What are the downstream products of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: Related downstream products(CAS) of 1-Pyrimidin-2-yl-piperidin-4-one: 893755-98-1. |
| Q: What is the molecular weight of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: Molecular weight of 1-Pyrimidin-2-yl-piperidin-4-one is 177.20300. |
| Q: What is the English name of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: The English name of 1-Pyrimidin-2-yl-piperidin-4-one is 1-Pyrimidin-2-yl-piperidin-4-one. |
| Q: What is the LogP of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: LogP of 1-Pyrimidin-2-yl-piperidin-4-one is 0.71090. |
| Q: What is the CAS number of 1-Pyrimidin-2-yl-piperidin-4-one? |
| A: CAS number of 1-Pyrimidin-2-yl-piperidin-4-one is 116247-92-8. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |