Identifiers & Physical Properties
| CAS No. | 219307-74-1 |
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| Molecular formula | C13H17NOSe |
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| Average molar mass | 282.25 g/mol |
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| Monoisotopic mass | 283.04753546 g/mol |
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| SMILES | CCC1(O)CC[Se]C(c2ccc(C)cc2)=N1 |
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| InChIKey | SPHPVCBZNTZISK-UHFFFAOYSA-N |
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| PubChem CID | 9903869 |
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| EC No. | 118-531-2 |
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| DTXSID | DTXSID70432637 |
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Chemical & Physical Properties
| Topological polar surface area | 32.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 271 |
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Safety & Regulations
| GHS classification | DangerH301+H331 (100%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]P260, P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P332+P317, P362+P364, P391, 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. 3 (100%) |
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