Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에틸4-하이드록시피페리딘-1-카복실레이트
에틸4-하이드록시피페리딘-1-카복실레이트 · ETHYL 4-HYDROXY-1-PIPERIDINECARBOXYLATE · N-CARBETHOXY-4-PIPERIDINOL · 1-CARBETHOXY-4-HYDROXYPIPERIDINE · N-Carbethoxy-4-piperidino · 1-CARBETHOXY-4-PIPERIDINOL · N-Carboethoxypiperidine-4-Ol · Ethyl 4-Hydroxy-1-piperidine
식별자 및 물리적 특성
| CAS No. | 65214-82-6 |
|---|---|
| 분자식 | C8H15NO3 |
| 평균 분자량 | 173.21 g/mol |
| 단동위원소 질량 | 173.10519334 g/mol |
| SMILES | CCOC(=O)N1CCC(O)CC1 |
| InChIKey | QABJNOSERNVHDY-UHFFFAOYSA-N |
| PubChem CID | 96394 |
| EC No. | 265-636-5 |
| DTXSID | DTXSID50215521 |
| 현지명 | 에틸4-하이드록시피페리딘-1-카복실레이트 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 49.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 152 |
| 끓는 점 | 120-130 °C(Press: 0.098 Torr) |
| 밀도 | 1.12 |
| 굴절률 | 1.4802 |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 14.80±0.20(Predicted) |
| 색상 | Colorless to Light yellow to Light orange |
| InChI | InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3 |
| InChIKey | QABJNOSERNVHDY-UHFFFAOYSA-N |
| SMILES | N1(C(OCC)=O)CCC(O)CC1 |
화학적 성질
Colorless liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 09-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32629 |
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| 관세 코드 | 29333990 |
| 안전 문구(S) | 24/25 |
용도
용도
Ethyl 4-hydroxypethidine-1-carboxylate is mainly used as a pharmaceutical intermediate and a raw material for organic matter. It can be used in the synthesis of antihistamines, antipsychotics, antidepressants, and various pesticides. As an intermediate, the compound can also produce fungicides and insecticides. It can be used as a raw material for synthetic surfactants, flavors, and fragrances.