化工社化工社 化学情報印刷レポート · 研究参考用
2-(3-Chlorophenyl)-2-methylpropan-1-amine
Benzeneethanamine, 3-chloro-β,β-dimethyl- · 2-(3-chlorophenyl)-2-methylpropan-1-amine
識別子と物理属性
| CAS No. | 92015-24-2 |
|---|---|
| 分子式 | C10H14ClN |
| 平均分子量 | 183.68 g/mol |
| 単同位体質量 | 183.0814771 g/mol |
| SMILES | CC(C)(CN)c1cccc(Cl)c1 |
| InChIKey | YOMVZWQZGFLTFA-UHFFFAOYSA-N |
| PubChem CID | 24252544 |
| EC No. | 809-576-5 |
化学・物理的性質
| XLogP | 2.7 |
|---|---|
| 極性表面積 | 26 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 145 |
| 沸点 | 245.1±15.0 °C(Predicted) |
| 密度 | 1.069±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Refrigerator, under inert atmosphere |
| 溶解度 | DMSO（微量）、メタノール（微量） |
| pKa（酸解離定数） | 9.74±0.10(Predicted) |
| 外観・状態 | 油 |
| 色 | 無色透明 |
| InChI | 1S/C10H14ClN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3 |
| InChIKey | YOMVZWQZGFLTFA-UHFFFAOYSA-N |
| SMILES | ClC1=CC(C(C)(C)CN)=CC=C1 |
安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 水環境危害等級（WGK） | WGK 3 |
| 税関コード | 2921490090 |
| 危険等級 | Acute Tox. 4 OralEye Dam. 1 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
2-(3-Chlorophenyl)-2-methylpropan-1-amine was used for the preparation of pyrimidinediones as antagonists of L-type calcium channels (LTCC) for potential use in the treatment of Parkinson’s disease.