Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-(디메틸아미노메틸)-4-티아졸메탄올
2-(디메틸아미노메틸)-4-티아졸메탄올 · CBI-BB ZERO/005461 · Nizatidine Impurity 15 · Nizatidine EP impurity 1 · 2-(Dimethylaminomethyl)-4-thiazolemethano · 2-(Dimethylaminomethyl)-4-thiazolemethanol · 2-(Dimethylaminomethyl)thiazole-4-methanol · (2-DIMETHYLAMINOMETHYL-THIAZOL-4-YL)-METHANOL
식별자 및 물리적 특성
| CAS No. | 78441-69-7 |
|---|---|
| 분자식 | C7H12N2OS |
| 평균 분자량 | 172.25 g/mol |
| 단동위원소 질량 | 172.06703418 g/mol |
| SMILES | CN(C)Cc1nc(CO)cs1 |
| InChIKey | BIEFSXASVIQOOS-UHFFFAOYSA-N |
| PubChem CID | 1838020 |
| EC No. | 809-745-3 |
| DTXSID | DTXSID30365356 |
| 현지명 | 2-(디메틸아미노메틸)-4-티아졸메탄올 |
화학 및 물리적 성질
| XLogP | 0 |
|---|---|
| 극성 표면적 | 64.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 121 |
| 끓는 점 | 273.1±25.0 °C(Predicted) |
| 밀도 | 1.208±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 13.22±0.10(Predicted) |
안전 및 규제
| GHS 분류 | H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.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. |
|---|---|
| Hazard Classes and Categories | Aquatic Chronic 2 (97.4%) |
| 위험 문구(R) | 51/53 |
| 위험 표시 | N |
| 안전 문구(S) | 61 |
용도
용도
2-[(Dimethylamino)methyl]-4-thiazolemethanol is an impurity of the histamine H2-receptor antagonist Nizatidine (N598500).