Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-(3-클로로프로필)-4-메틸피페라진
1-(3-클로로프로필)-4-메틸피페라진 · 1-(3-Chloropropyl)-4-methylpiperazine · n-methylpiperazinopropyl chloride · 1-(3-chloropropyl)-4-methyl-piperazin · 1-Methyl-4-(3-chloropropyl)piperazine · 3-(4-Methylpiperazino)propyl chloride · N-(3-Chloropropyl)-N'-methylpiperazine · 1-(3-Chloroprop-1-yl)-4-methylpiperazine
식별자 및 물리적 특성
| CAS No. | 104-16-5 |
|---|---|
| 분자식 | C8H17ClN2 |
| 평균 분자량 | 176.69 g/mol |
| 단동위원소 질량 | 176.10802622 g/mol |
| SMILES | CN1CCN(CCCCl)CC1 |
| InChIKey | AUERUDPETOKUPT-UHFFFAOYSA-N |
| PubChem CID | 66906 |
| EC No. | 203-181-6 |
| DTXSID | DTXSID90146204 |
| 현지명 | 1-(3-클로로프로필)-4-메틸피페라진 |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 6.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 100 |
| 녹는점 | 128-130 °C(Solv: acetone (67-64-1)) |
| 끓는 점 | 243 ºC |
| 밀도 | 1.015 |
| 굴절률 | 1.476 |
| 인화점 | 101 ºC |
| 저장 조건 | Sealed in dry,Store in freezer, under -20°C |
| pKa(산도 계수) | 7+-.0.10(Predicted) |
| InChI | InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3 |
| InChIKey | AUERUDPETOKUPT-UHFFFAOYSA-N |
| SMILES | N1(CCCCl)CCN(C)CC1 |
안전 및 규제
| GHS 분류 | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23577 |
| Hazard Classes and Categories | Acute Tox. 3 (50%) |
| 관세 코드 | 2933599590 |
용도
용도
1-Methyl-4-(3-chloropropyl)piperazine can be used in the preparation of many pharmaceutically active compounds such as antiulcer agents, antitumor agents, antibiotics and anxiolytics.