HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 611822Generated: October 23, 2026
2-(Pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
(E)-2-(pyridin-3-ylmethylene)quinuclidin-3-one · 1-Azabicyclo[2.2.2]octan-3-one, 2-(3-pyridinylmethylene)- · (2Z)-2-[(Pyridin-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
https://huagongshe.com/en/chemical/611822
Identifiers & Physical Properties
| CAS No. | 273748-55-3 |
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| Molecular formula | C13H14N2O |
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| Average molar mass | 214.26 g/mol |
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| Monoisotopic mass | 214.11061307 g/mol |
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| SMILES | O=C1C(=Cc2cccnc2)N2CCC1CC2 |
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| InChIKey | QCIUVDYZQNETIG-UHFFFAOYSA-N |
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| PubChem CID | 611822 |
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| DTXSID | DTXSID40346398 |
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Chemical & Physical Properties
| XLogP | 1.6 |
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| Topological polar surface area | 33.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 316 |
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| Boiling point | 407.5±44.0 °C(Predicted) |
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| Density | 1.22±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 3.99±0.12(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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| Customs code | 2933998090 |
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Safety & Regulations
| Customs code | 2933998090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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![2-(Pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one molecular structure](/img/chemical/611822.png)