Identifiers & Physical Properties
| CAS No. | 6091-44-7 |
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| Molecular formula | C5H12ClN |
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| Average molar mass | 121.61 g/mol |
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| Monoisotopic mass | 121.06582706 g/mol |
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| SMILES | C1CCNCC1.Cl |
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| InChIKey | VEIWYFRREFUNRC-UHFFFAOYSA-N |
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| PubChem CID | 2723721 |
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| EC No. | 228-033-8 |
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| DTXSID | DTXSID20884223 |
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Chemical & Physical Properties
| Topological polar surface area | 12 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 7 |
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| Formal charge | 0 |
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| Complexity | 30.9 |
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Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Regulatory information | Status: Active Update: 01-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22613Piperidinium chloride: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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