識別子と物理属性
| CAS No. | 133671-41-7 |
|---|
| 分子式 | C21H22N2 |
|---|
| 平均分子量 | 302.4 g/mol |
|---|
| 単同位体質量 | 302.17829871 g/mol |
|---|
| SMILES | CC1CCCCN1c1cc(-c2ccccc2)nc2ccccc12 |
|---|
| InChIKey | XLXHACQUHHKCON-UHFFFAOYSA-N |
|---|
| PubChem CID | 453046 |
|---|
| ChEMBL | CHEMBL48187 |
|---|
| EC No. | 661-958-9 |
|---|
| DTXSID | DTXSID40332357 |
|---|
化学・物理的性質
| XLogP | 5.3 |
|---|
| 極性表面積 | 16.1 |
|---|
| 水素結合供与体数 | 0 |
|---|
| 水素結合受容体数 | 2 |
|---|
| 回転可能結合数 | 2 |
|---|
| 重原子数 | 23 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 376 |
|---|
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
