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HCID 7046生成日期：2026年10月23日
1,2,3,4-四氢异喹啉
化合物 Fr16648 · 盐酸1,2,3,4-四氢异喹啉 · 1,2,3,4-四氢异喹啉 盐酸盐 · Compound Fr16648 · TIMTEC-BB SBB003860 · 1,2,3,4-Tetrahydroisoquinoline HCl · 3,5-dimethyl-2-(1-pyrrolyl)pyrazine · 1,2,3,4-tetrahydro-isoquinolinhydrochloride
https://huagongshe.com/zh-CN/chemical/7046
标识与物理属性
| CAS No. | 14099-81-1 |
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| 分子式 | C9H11N |
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| 平均分子量 | 133.19 g/mol |
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| 单同位素质量 | 133.08914935 g/mol |
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| SMILES | c1ccc2c(c1)CCNC2 |
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| InChIKey | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
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| PubChem CID | 7046 |
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| ChEMBL | CHEMBL14346 |
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| ChEBI | CHEBI:125498 |
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| EC No. | 202-050-0 |
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| DTXSID | DTXSID6026115 |
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| 中文名 | 1,2,3,4-四氢异喹啉 盐酸盐 |
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化学与物理性质
| XLogP | 1.6 |
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| 极性表面积 | 12 |
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| 氢键供体 | 1 |
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| 氢键受体 | 1 |
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| 可旋转键 | 0 |
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| 重原子 | 10 |
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| 形式电荷 | 0 |
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| 复杂度 | 111 |
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| 物质类别 | Nitrogen Compounds -> Quinolines |
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| SpringerMaterials Properties | Chemical shift |
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| 熔点 | < -15 °C198-202 °C |
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| Physical Description | Clear brown liquid with an unpleasant odor[Acros Organics MSDS] |
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| 储存条件 | Sealed in dry,Room Temperature |
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| 溶解性 | almost transparency |
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| CAS 数据库 | 14099-81-1(CAS DataBase Reference) |
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安全与法规
| GHS 分类 | 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. |
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| 法规信息 | Status: Cease Manufacture Update: 21-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10824 |
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| 危害概述 | 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. |
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| Hazard Classes and Categories | Acute Tox. 3 (69.5%) |
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| 不良影响 | Dermatotoxin - Skin burns. |
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| 毒性 | mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975. |
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| RTECS 号 | NX5075000 |
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| 安全说明（S） | 36/37/39-26-37/39 |
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| 海关编码 | 29334990 |
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| 危险品标志 | Xn,Xi |
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| 危险类别码（R） | 36/37/38-20/21/22 |
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