Identifiers & Physical Properties
| CAS No. | 52068-30-1 |
|---|
| Molecular formula | C13H15ClN2O |
|---|
| Average molar mass | 250.72 g/mol |
|---|
| Monoisotopic mass | 250.08729078 g/mol |
|---|
| SMILES | Cl.NNc1ccc(OCc2ccccc2)cc1 |
|---|
| InChIKey | OVNUPJXMCMTQCN-UHFFFAOYSA-N |
|---|
| PubChem CID | 3016725 |
|---|
| EC No. | 257-636-9 |
|---|
| DTXSID | DTXSID60200049 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 47.3 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 4 |
|---|
| Heavy atoms | 17 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 184 |
|---|
Safety & Regulations
| GHS classification | WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
|---|
