2-(2-アミノエチル)チオフェン
2-(2-アミノエチル)チオフェン · 2-(2-チエニル)エチルアミン · 2-チオフェンエタンアミン · 2-(2-チエニル)エタンアミン · チオフェン-2-エタンアミン · [2-(2-チエニル)エチル]アミン · チオフェン-2-エチルアミン · 2-チエン-2-イルエタンアミン
識別子と物理属性
| CAS No. | 30433-91-1 |
|---|---|
| 分子式 | C6H9NS |
| 平均分子量 | 127.21 g/mol |
| 単同位体質量 | 127.04557029 g/mol |
| SMILES | NCCc1cccs1 |
| InChIKey | HVLUYXIJZLDNIS-UHFFFAOYSA-N |
| PubChem CID | 116521 |
| ChEMBL | CHEMBL252803 |
| EC No. | 250-196-9 |
| DTXSID | DTXSID60952773 |
| 現地名 | 2-(2-アミノエチル)チオフェン |
化学・物理的性質
| XLogP | 1 |
|---|---|
| 極性表面積 | 54.3 |
| 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 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 65.5 |
| 融点 | 202 °C |
| 沸点 | 200-201 °C/750 mmHg (lit.) |
| 密度 | 1.087 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.551(lit.) |
| 引火点 | 190 °F |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | DMSO、メタノール |
| pKa（酸解離定数） | 9.47±0.10(Predicted) |
| 外観・状態 | 液体 |
| 比重 | 1.087 |
| 色 | 無色～黄色 |
| BRN | 106962 |
| InChI | 1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2 |
| InChIKey | HVLUYXIJZLDNIS-UHFFFAOYSA-N |
| SMILES | NCCc1cccs1 |
| CAS データベース | 30433-91-1(CAS DataBase Reference) |
化学的特性
A colorless to yellow liquid with unstable properties requiring protection with nitrogen gas. It appears as a light yellow clear liquid, but turns red upon prolonged exposure.
安全性と法規制
| GHS 分類 | DangerH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, 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.H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
|---|---|
| 規制情報 | Status: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12301 |
| Hazard Classes and Categories | Acute Tox. 4 (87.2%)Skin Corr. 1B (100%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | NA 1993 / PGIII |
| 税関コード | 29339900 |
| 危険文句（R） | 20/21/22-36/37/38 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xn,Xi |
| 安全措置（S） | 26-36-37/39 |
| 危険等級 | 8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | II |
| 貯蔵分類 | 10 - Combustible liquids |
用途
用途
有機合成原料。
使用
[2-(Thiophene-2-yl)ethyl]amine is used in the synthesis of geldanamycin derivatives as HCV replication inhibitors targetting Hsp90.
一般的な説明
2-Thiopheneethylamine (2-(thiophen-2-yl)ethanamine) is an aromatic amine. It undergoes microwave induced condensation with iminodiacetic acid to form the corresponding piperazine-2,6-dione derivatives. Its effect as a probable substitute to the pyridine ligand on the performance of poly(3-hexylthiophene)/CdSe hybrid solar cells has been investigated.