識別子と物理属性
| CAS No. | 73663-77-1 |
|---|
| 分子式 | C15H15ClN2 |
|---|
| 平均分子量 | 258.74 g/mol |
|---|
| 単同位体質量 | 258.0923762 g/mol |
|---|
| SMILES | Cc1ccc(C(C#N)c2ccc([NH3+])cc2)cc1.[Cl-] |
|---|
| InChIKey | UXWNAZIHSFDGKA-UHFFFAOYSA-N |
|---|
| PubChem CID | 51981 |
|---|
| EC No. | 277-564-1 |
|---|
化学・物理的性質
| 極性表面積 | 51.4 |
|---|
| 水素結合供与体数 | 1 |
|---|
| 水素結合受容体数 | 2 |
|---|
| 回転可能結合数 | 2 |
|---|
| 重原子数 | 18 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 275 |
|---|
安全性と法規制
| GHS 分類 | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
