Identifiers & Physical Properties
| CAS No. | 6334-11-8 |
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| Molecular formula | C9H14ClN |
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| Average molar mass | 171.67 g/mol |
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| Monoisotopic mass | 171.0814771 g/mol |
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| SMILES | Cc1cc(C)c(N)c(C)c1.Cl |
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| InChIKey | WUYJXWRFOUCHEB-UHFFFAOYSA-N |
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| PubChem CID | 5284471 |
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| EC No. | 804-229-4 |
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| DTXSID | DTXSID6021400 |
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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 | 0 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 99.3 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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