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2-アミノメチルナフタレン
2-アミノメチルナフタレン · naphthalen-2-ylMethanaMine · RARECHEM AL BW 0300 · Naphthyl methanamine · 1-(2-phthyl)methamine · β-Naphthalenemethylamine · 1-(2-NAPHTHYL)METHANAMINE · 2-AMinoMethyl naphthalene
識別子と物理属性
| CAS No. | 2018-90-8 |
|---|---|
| 分子式 | C11H11N |
| 平均分子量 | 157.21 g/mol |
| 単同位体質量 | 157.08914935 g/mol |
| SMILES | NCc1ccc2ccccc2c1 |
| InChIKey | XBCAHQUVHHVHHL-UHFFFAOYSA-N |
| PubChem CID | 137282 |
| EC No. | 899-666-0 |
| DTXSID | DTXSID40174012 |
| 現地名 | 2-アミノメチルナフタレン |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 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 | 1 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 144 |
| 融点 | 59.5°C |
| 沸点 | 271.88°C (rough estimate) |
| 密度 | 1.0595 (rough estimate) |
| 屈折率 | 1.6722 (estimate) |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa（酸解離定数） | 9.06±0.30(Predicted) |
| 外観・状態 | solid |
| 色 | Yellow |
| InChI | InChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11（10）7-9/h1-7H，8,12H2 |
| InChIKey | XBCAHQUVHHHHHHL-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C=C(C=CC2=C1)CN |
安全性と法規制
| GHS 分類 | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| 税関コード | 2921490090 |
用途
使用
1-(2-Naphthyl)methanamine can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical production process.