化工社化工社 化学情報印刷レポート · 研究参考用
N-(p-メトキシベンジル)ピリジン-2-アミン
N-(4-メトキシベンジル)ピリジン-2-アミン · 2-(4-メトキシベンジルアミノ)ピリジン · N-(p-メトキシベンジル)ピリジン-2-アミン · N-[(4-メトキシフェニル)メチル]-2-ピリジンアミン · N-(2-ピリジニル)-4-メトキシベンゼンメタンアミン · N-[(4-メトキシフェニル)メチル]ピリジン-2-アミン · 4-メトキシベンジル2-ピリジニルアミン · MEPYRAMINE IMP A
識別子と物理属性
| CAS No. | 52818-63-0 |
|---|---|
| 分子式 | C13H14N2O |
| 平均分子量 | 214.26 g/mol |
| 単同位体質量 | 214.11061307 g/mol |
| SMILES | COc1ccc(CNc2ccccn2)cc1 |
| InChIKey | SMJGJENXFSWIMQ-UHFFFAOYSA-N |
| PubChem CID | 97452 |
| EC No. | 258-202-1 |
| DTXSID | DTXSID70200797 |
| 現地名 | N-(p-メトキシベンジル)ピリジン-2-アミン |
化学・物理的性質
| XLogP | 2.6 |
|---|---|
| 極性表面積 | 34.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 4 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 190 |
| 融点 | 121-126 °C |
| 沸点 | 354.4°C (rough estimate) |
| 密度 | 1.0850 (rough estimate) |
| 屈折率 | 1.6450 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,2-8°C |
| pKa（酸解離定数） | 6.28±0.10(Predicted) |
| 主な用途 | 医薬品（低分子化合物） |
| InChI | 1S/C13H14N2O/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15) |
| InChIKey | SMJGJENXFSWIMQ-UHFFFAOYSA-N |
| SMILES | N(Cc2ccc(cc2)OC)c1ncccc1 |
化学的特性
white to yellow powder
安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (50%)Eye Dam. 1 (50%)STOT SE 3 (50%) |
| 税関コード | 29333999 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 24/25 |
| 危険等級 | IRRITANT |
用途
使用
N-[(4-Methoxyphenyl)methyl]-2-pyridinamine was used in the study of synthesis and microbiology evaluations of (N-heteroaryl)arylmethanamines and their Schiff bases.