トリプタミン 塩酸塩
トリプタミン 塩酸塩 · トリプタミン塩酸塩 · 3-(2-アミノエチル)インドール塩酸塩 · 3-(2-アミノエチル)-1H-インドール・塩酸塩 · 塩酸トリプタミン · 1H-インドール-3-エタンアミン・塩酸塩 · トリプタミン・塩酸塩 · TRYPTAMINE HCL
識別子と物理属性
| CAS No. | 343-94-2 |
|---|---|
| 分子式 | C10H13ClN2 |
| 平均分子量 | 196.67 g/mol |
| 単同位体質量 | 196.0767261 g/mol |
| SMILES | Cl.NCCc1c[nH]c2ccccc12 |
| InChIKey | KDFBGNBTTMPNIG-UHFFFAOYSA-N |
| PubChem CID | 67652 |
| ChEMBL | CHEMBL1255796 |
| EC No. | 206-446-4 |
| DTXSID | DTXSID9059836 |
| 現地名 | トリプタミン 塩酸塩 |
化学・物理的性質
| 極性表面積 | 41.8 |
|---|---|
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 147 |
| 融点 | 253-255 °C(lit.) |
| 貯蔵条件 | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| 溶解度 | 水：可溶0.1g/10mL、透明～やや濁り、無色～黄色water: soluble 0.1g/10 mL, clear to slightly hazy, colorless to yellow |
| 外観・状態 | 粉 |
| 色 | ベージュからライトオレンジ |
| Merck | 14,9796 |
| BRN | 3568419 |
| 安定性 | Hygroscopic |
| InChI | InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 |
| InChIKey | KDFBGNBTTMPNIG-UHFFFAOYSA-N |
| SMILES | C12C=CC=CC=1NC=C2CCN.Cl |
| CAS データベース | 343-94-2(CAS DataBase Reference) |
| EPAの化学物質情報 | 1H-Indole-3-ethanamine, monohydrochloride (343-94-2) |
化学的特性
beige to light orange powder
安全性と法規制
| GHS 分類 | DangerH301 (97%): Toxic if swallowed [Danger Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 33 reports by companies from 3 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. |
|---|---|
| 規制情報 | Chemical: 1H-Indole-3-ethanamine, monohydrochloride |
| その他の安全情報 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 3 (97%)Eye Irrit. 2 (100%) |
| F | 3-8-10 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | NL4375000 |
| 税関コード | 29339900 |
| 危険文句（R） | 36/37/38-20/21/22-41-37/38-22 |
| 危険表示 | Xn,Xi |
| 安全措置（S） | 22-24/25-36/37/39-36-26 |
| 危険等級 | Acute Tox. 4 OralEye Dam. 1Skin Sens. 1A |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
Reactant for preparation of:Tryptamine derivatives as inhibitors against hepatitis B virusCarbamoyl epipodophyllotoxins as potential antitumor agentsAnthranilic acid derivatives as CCK receptor antagonistsBrassinin derivatives as indoleamine 2,3-dioxygenase inhibitorsAntispasmodic agentsβ-carbolinium cations as new antimalarial agents
一般的な説明
The fluorescence property of tryptamine hydrochloride was studied in reverse micelles solution made with benzylhexadecyldimethylammonium chloride (BHDC) in benzene.
製法・合成法
純化方法
Crystallise the salt from EtOH/water or EtOH/Et2O. See previous entry for UV. [Beilstein 22 II 347, 22 III/IV 4319, 22/10 V 46.]