化工社化工社 化学情報印刷レポート · 研究参考用
1,2,3,4-テトラヒドロイソキノリン塩酸塩
1,2,3,4-テトラヒドロイソキノリン塩酸塩 · 1,2,3,4-テトラヒドロイソキノリン・塩酸塩 · Compound Fr16648 · TIMTEC-BB SBB003860 · 1,2,3,4-Tetrahydroisoquinoline HCl · 3,5-dimethyl-2-(1-pyrrolyl)pyrazine · 1,2,3,4-tetrahydro-isoquinolinhydrochloride · 1,2,3,4-Tetrahydroisoquinoline hydrochloride
識別子と物理属性
| CAS No. | 14099-81-1 |
|---|---|
| 分子式 | C9H11N |
| 平均分子量 | 133.19 g/mol |
| 単同位体質量 | 133.08914935 g/mol |
| SMILES | c1ccc2c(c1)CCNC2 |
| InChIKey | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
| PubChem CID | 7046 |
| ChEMBL | CHEMBL14346 |
| ChEBI | CHEBI:125498 |
| EC No. | 202-050-0 |
| DTXSID | DTXSID6026115 |
| 現地名 | 1,2,3,4-テトラヒドロイソキノリン塩酸塩 |
化学・物理的性質
| XLogP | 1.6 |
|---|---|
| 極性表面積 | 12 |
| 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 | 0 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 111 |
| 物質分類 | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | Chemical shift |
| 融点 | < -15 °C198-202 °C |
| Physical Description | Clear brown liquid with an unpleasant odor[Acros Organics MSDS] |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | ほとんど透明 |
| CAS データベース | 14099-81-1(CAS DataBase Reference) |
化学的特性
white to off-white crystalline powder
安全性と法規制
| GHS 分類 | DangerH301 (69.5%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Status: Cease Manufacture Update: 21-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10824 |
| 有害性の概要 | Causes other degenerative changes to brain and coverings and effects on peptidases in acute intraperitoneal studies of rats[RTECS] Causes burnsToxic by ingestionHarmful by inhalationHighly toxic by skin absorptionMay cause brain damage[ECHA REACH Registrations] An irritant[Acros Organics MSDS] See 5,6,7,8-Tetrahydroquinoline. |
| Hazard Classes and Categories | Acute Tox. 3 (69.5%) |
| 有害作用 | Dermatotoxin - Skin burns. |
| RTECS 番号 | NX5075000 |
| 毒性 | mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975. |
| 税関コード | 29334990 |
| 危険文句（R） | 36/37/38-20/21/22 |
| 危険表示 | Xn,Xi |
| 安全措置（S） | 36/37/39-26-37/39 |