HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 4792807Generated: November 3, 2026
1-[(2,4-Dichlorophenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane
https://huagongshe.com/en/chemical/4792807
Identifiers & Physical Properties
| CAS No. | 1046160-36-4 |
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| Molecular formula | C13H17Cl2N2+ |
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| Average molar mass | 272.19 g/mol |
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| Monoisotopic mass | 271.0768789 g/mol |
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| SMILES | Clc1ccc(C[N+]23CCN(CC2)CC3)c(Cl)c1 |
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| InChIKey | NTLDDVSWLQEROI-UHFFFAOYSA-N |
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| PubChem CID | 4792807 |
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| DTXSID | DTXSID101169026 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 3.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 17 |
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| Formal charge | 1 |
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| Complexity | 263 |
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![1-[(2,4-Dichlorophenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane molecular structure](/img/chemical/4792807.png)