2-Azabicyclo[2.2.2]octan-3-one
![2-Azabicyclo[2.2.2]octan-3-one Structure](https://image.chemsrc.com/caspic/235/3306-69-2.png)
2-Azabicyclo[2.2.2]octan-3-one structure
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Common Name | 2-Azabicyclo[2.2.2]octan-3-one | ||
|---|---|---|---|---|
| CAS Number | 3306-69-2 | Molecular Weight | 125.168 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 297.4±9.0 °C at 760 mmHg | |
| Molecular Formula | C7H11NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 167.8±3.7 °C | |
Summary: 3-azabicyclo[2.2.2]octan-2-one, also known as 2-Azabicyclo[2.2.2]octan-3-one, has a molecular formula of C7H11NO and a molecular weight of 125.168. Its CAS number is 3306-69-2, with a density of approximately 1.1 g/cm³ and a boiling point of about 297.4°C. 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 | 3-azabicyclo[2.2.2]octan-2-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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 297.4±9.0 °C at 760 mmHg |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.168 |
| Flash Point | 167.8±3.7 °C |
| Exact Mass | 125.084061 |
| PSA | 29.10000 |
| LogP | -0.47 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.497 |
| InChIKey | CZVSOFLNEUYJRJ-UHFFFAOYSA-N |
| SMILES | O=C1NC2CCC1CC2 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933790090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~86%
2-Azabicyclo[2.... CAS#:3306-69-2 |
| Literature: Chung, John Y. L.; Ho, Guo-Jie Synthetic Communications, 2002 , vol. 32, # 13 p. 1985 - 1995 |
|
~83%
2-Azabicyclo[2.... CAS#:3306-69-2 |
| Literature: Windhorst; Bechger; Visser; Menge; Leurs; Timmerman; Herscheid Journal of Fluorine Chemistry, 1996 , vol. 80, # 1 p. 35 - 40 |
|
~%
2-Azabicyclo[2.... CAS#:3306-69-2 |
| Literature: Houben; Pfau Chemische Berichte, 1916 , vol. 49, p. 2295 |
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~%
2-Azabicyclo[2.... CAS#:3306-69-2 |
| Literature: SUNOVION PHARMACEUTICALS INC.; HARDY, Larry, Wendell; HEFFERNAN, Michele, L., R.; WU, Frank, Xinhe; SPEAR, Kerry, L.; SARASWAT, Lakshmi, D. Patent: WO2011/75699 A2, 2011 ; Location in patent: Page/Page column 175 ; WO 2011/075699 A1 |
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~%
2-Azabicyclo[2.... CAS#:3306-69-2 |
| Literature: Werner; Ricca Journal of the American Chemical Society, 1958 , vol. 80, p. 2733,2736 |
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~%
2-Azabicyclo[2.... CAS#:3306-69-2 |
| Literature: Werner; Ricca Journal of the American Chemical Society, 1958 , vol. 80, p. 2733,2736 |
|
~%
2-Azabicyclo[2.... CAS#:3306-69-2 |
| Literature: SUNOVION PHARMACEUTICALS INC.; HARDY, Larry, Wendell; HEFFERNAN, Michele, L., R.; WU, Frank, Xinhe; SPEAR, Kerry, L.; SARASWAT, Lakshmi, D. Patent: WO2011/75699 A2, 2011 ; WO 2011/075699 A1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 3 | |
![2-AZABICYCLO[2.2.2]OCTANE structure](https://image.chemsrc.com/caspic/213/280-38-6.png)
CAS#:280-38-6
CAS#:87640-24-2![3-azabicyclo[2.2.2]octane,hydrochloride structure](https://image.chemsrc.com/caspic/172/5845-15-8.png)
CAS#:5845-15-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933790090 |
|---|---|
| Summary | 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| isoquinuclidin-3-one |
| 2-azobicyclo<octane-3-one |
| 4-Aminocyclohexanecarboxylic acid lactam |
| 2-Azabicyclo[2.2.2]octan-3-one |
| 3-isoquinuclidinone |
| 3-Isoquinuclidone |
| 2-Aza-bicyclo<2.2.2>octan-3-one |
| Isonortropinone |
| Cyclohexanecarboxylic acid,4-amino-,lactam |
| 2-azabicyclo<octane-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 3-azabicyclo[2.2.2]octan-2-one? |
| A: Related downstream products(CAS) of 3-azabicyclo[2.2.2]octan-2-one: 280-38-6;87640-24-2;5845-15-8. |
| Q: What is the polar surface area (PSA) of 3-azabicyclo[2.2.2]octan-2-one? |
| A: Polar surface area (PSA) of 3-azabicyclo[2.2.2]octan-2-one is 29.10000. |
| Q: What is the InChIKey of 3-azabicyclo[2.2.2]octan-2-one? |
| A: InChIKey of 3-azabicyclo[2.2.2]octan-2-one is CZVSOFLNEUYJRJ-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-azabicyclo[2.2.2]octan-2-one? |
| A: CAS number of 3-azabicyclo[2.2.2]octan-2-one is 3306-69-2. |
| Q: What is the molecular formula of 3-azabicyclo[2.2.2]octan-2-one? |
| A: Molecular formula of 3-azabicyclo[2.2.2]octan-2-one is C7H11NO. |
| Q: What are the upstream materials of 3-azabicyclo[2.2.2]octan-2-one? |
| A: Related upstream materials(CAS) of 3-azabicyclo[2.2.2]octan-2-one: 1776-53-0;61367-16-6;150-13-0;51498-33-0;3685-23-2;62456-15-9;17159-79-4. |
| Q: What is the SMILES notation of 3-azabicyclo[2.2.2]octan-2-one? |
| A: SMILES notation of 3-azabicyclo[2.2.2]octan-2-one is O=C1NC2CCC1CC2. |
| Q: What is the molecular weight of 3-azabicyclo[2.2.2]octan-2-one? |
| A: Molecular weight of 3-azabicyclo[2.2.2]octan-2-one is 125.168. |
| Q: What is the boiling point of 3-azabicyclo[2.2.2]octan-2-one? |
| A: Boiling point of 3-azabicyclo[2.2.2]octan-2-one is 297.4±9.0 °C at 760 mmHg. |
| Q: What is the LogP of 3-azabicyclo[2.2.2]octan-2-one? |
| A: LogP of 3-azabicyclo[2.2.2]octan-2-one is -0.47. |
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. |