Identifiers & Physical Properties
| CAS No. | 851169-12-5 |
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| Molecular formula | C11H14ClNO2 |
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| Average molar mass | 227.69 g/mol |
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| Monoisotopic mass | 227.0713064 g/mol |
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| SMILES | COc1ccc(CN(C)C(=O)CCl)cc1 |
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| InChIKey | RLSMTAIXCJTUHH-UHFFFAOYSA-N |
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| PubChem CID | 4868340 |
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| ChEMBL | CHEMBL1378421 |
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| EC No. | 182-347-9 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 29.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 203 |
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| Solubility | >34.2 [ug/mL] (The mean of the results at pH 7.4) |
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Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 | Acute Tox. 4 (100%) |
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