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2-(2-アミノエチル)ピリジン
2-(2-アミノエチル)ピリジン · [2-(2-ピリジル)エチル]アミン · 2-(2-ピリジル)エチルアミン · 2-(2-ピリジニル)エタンアミン · ピリジン-2-エタンアミン · 2-ピリジンエタンアミン · ピリジン-2-(エタンアミン) · [2-(2-ピリジニル)エチル]アミン
識別子と物理属性
| CAS No. | 2706-56-1 |
|---|---|
| 分子式 | C7H10N2 |
| 平均分子量 | 122.17 g/mol |
| 単同位体質量 | 122.08439833 g/mol |
| SMILES | NCCc1ccccn1 |
| InChIKey | XPQIPUZPSLAZDV-UHFFFAOYSA-N |
| PubChem CID | 75919 |
| ChEMBL | CHEMBL32813 |
| ChEBI | CHEBI:74024 |
| EC No. | 220-295-1 |
| DTXSID | DTXSID5022196 |
| 現地名 | 2-(2-アミノエチル)ピリジン |
化学・物理的性質
| XLogP | 0.1 |
|---|---|
| 極性表面積 | 38.9 |
| 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 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 73 |
| Kovats Retention Index | 11471768 |
| 融点 | 198-200 °C(Solv: ethanol (64-17-5)) |
| 沸点 | 92-93 °C12 mm Hg(lit.) |
| 密度 | 1.021 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.536(lit.) |
| 引火点 | 213 °F |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | pK1: 4.24(+2)pK2: 9.78(+1) (25°C,μ=0.05) |
| 比重 | 1.021 |
| 色 | 無色透明～黄色 |
| 溶解度 | 水に（部分的に）溶け、最も一般的な極性溶媒です。無極性溶剤、油に不溶。 |
| BRN | 111208 |
| InChI | 1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2 |
| InChIKey | XPQIPUZPSLAZDV-UHFFFAOYSA-N |
| SMILES | NCCc1ccccn1 |
| CAS データベース | 2706-56-1(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Pyridineethanamine(2706-56-1) |
| EPAの化学物質情報 | 2-Pyridineethanamine (2706-56-1) |
化学的特性
clear colorless to yellow liquid
安全性と法規制
| GHS 分類 | DangerH314 (14.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (85.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (85.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (85.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 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 | Skin Corr. 1B (14.9%)Skin Irrit. 2 (85.1%)Eye Irrit. 2 (85.1%)STOT SE 3 (85.1%) |
| F | 10-34 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | 2735 |
| 税関コード | 29333990 |
| 危険文句（R） | 36/37/38-34 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| 安全措置（S） | 26-36-45-36/37/39 |
| 危険等級 | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
2-(2-Aminoethyl)pyridine is used as active pharmaceutical ingredients.