Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2,3,4-Tetrahydroisoquinoline
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 · Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride · 1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 98+%
식별자 및 물리적 특성
| CAS No. | 14099-81-1 |
|---|---|
| 분자식 | C9H11N |
| 평균 분자량 | 133.19 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 111 |
| 물질 분류 | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | Chemical shift |
| 녹는점 | < -15 °C198-202 °C |
| Physical Description | Clear brown liquid with an unpleasant odor[Acros Organics MSDS] |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 거의 투명함 |
화학적 성질
white to off-white crystalline powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Status: Cease Manufacture Update: 21-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10824 |
| 유해성 요약 | 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%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| RTECS 번호 | NX5075000 |
| 독성 | mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975. |
| 관세 코드 | 29334990 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 36/37/39-26-37/39 |