Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-(2-벤조일에틸)피페리디늄클로라이드
1-(2-벤조일에틸)피페리디늄클로라이드 · Pridinol impurity B · Trihexyphenidyl impurity 6 · Trihexyphenidyl EP Impurity A HCl · Benzhexol Impurity 1 Hydrochloride · 1-Phenyl-3-(piperidin-1-yl)propan-1 · TrihexylphenidylRelatedCompoundA.HCL · 1-(2-benzoylethyl)piperidinium chloride
식별자 및 물리적 특성
| CAS No. | 886-06-6 |
|---|---|
| 분자식 | C14H20ClNO |
| 평균 분자량 | 253.77 g/mol |
| 단동위원소 질량 | 253.123342 g/mol |
| SMILES | Cl.O=C(CCN1CCCCC1)c1ccccc1 |
| InChIKey | XIROGEVVNHGHFZ-UHFFFAOYSA-N |
| PubChem CID | 70171 |
| ChEMBL | CHEMBL1301346 |
| EC No. | 212-947-9 |
| DTXSID | DTXSID60237193 |
| 현지명 | 1-(2-벤조일에틸)피페리디늄클로라이드 |
화학 및 물리적 성질
| 극성 표면적 | 20.3 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 215 |
| 녹는점 | 192-193 °C(Solv: ethanol (64-17-5)acetone (67-64-1)) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | solid |
| InChI | InChI=1S/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H21H |
| InChIKey | XIROGEVVNHGHFZ-UHFFFAOYSA-N |
| SMILES | C1(C=CC=CC=1)C(=O)CCN1CCCCC1.Cl |
안전 및 규제
| GHS 분류 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19900 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (92.9%)Eye Dam. 1 (92.9%)STOT SE 3 (92.9%) |
| 독성 | LD50 intraperitoneal in mouse: 61mg/kg |
| 관세 코드 | 2933399090 |
용도
용도
3-Piperidinopropiophenone is a mono Mannich base derived from acetophenone with antibacterial, antifungal and antitumor activity. 3-Piperidinopropiophenone shows cytotoxicity againts Jurkat cells.