Identifiers & Physical Properties
| CAS No. | 22720-50-9 |
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| Molecular formula | C12H18ClN |
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| Average molar mass | 211.73 g/mol |
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| Monoisotopic mass | 211.1127773 g/mol |
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| SMILES | Cl.NC1CCCCC1c1ccccc1 |
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| InChIKey | FPWNXZWCBDBELJ-UHFFFAOYSA-N |
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| PubChem CID | 3028126 |
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| EC No. | 861-854-5 |
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Chemical & Physical Properties
| Topological polar surface area | 26 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 149 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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