기본 정보
- CAS
131988-19-7- 표준 SMILES
CCCCCCOc1nsnc1-c1ccc[n+](C)c1.[I-]- InChIKey
PLDTVIHYDHJMEQ-UHFFFAOYSA-M- 분자식
- C14H20IN3OS
- 평균 분자량
- 405.3 g/mol
- 단동위원소 질량
- 405.03718
이름 및 식별자
- 우선 이름
- 3-(4-Hexyloxy-1,2,5-thiadiazol-3-yl)-1-methylpyridinium iodide
- IUPAC
- 3-hexoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide
- 영어명
- 3-(4-Hexyloxy-1,2,5-thiadiazol-3-yl)-1-methylpyridinium iodide
- 분자량
- 405.3
이름 및 동의어
131988-19-73-(4-HEXYLOXY-1,2,5-THIADIAZOL-3-YL)-1-METHYLPYRIDINIUM IODIDEP9XKF3BE4QRefChem:10668553-(4-(Hexyloxy)-1,2,5-thiadiazol-3-yl)-1-methylpyridin-1-ium iodide3-hexoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole;iodide3-[4-(Hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methylpyridin-1-ium iodidePLDTVIHYDHJMEQ-UHFFFAOYSA-MSCHEMBL6906688DTXSID305966883-hexoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole,iodideMFCD30549975
이름 더 보기
ZanamilinXanomeline Impurity 11Xanomeline intermediate 3Xanomeline Impurity (Iodide)Xanomeline Impurity 15(Iodide)3- (4-Hexoxy-1,2,5-thiadiazol-3-yl) -1-methylpyridine iodide3-(4-Ethoxy-1,2,5-thiadiazol-3-yl)-1-methylpyridin-1-ium iodide
SY468197H615293-(3-hexyloxy-1,2,5-thiadiazol-4-yl)-1-methylpyridinium iodide3-hexoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodidePyridinium, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-, iodide3-(4-HEXYLOXY-1,2,5-THIADIAZOL-3-YL)-1-METHYLPYRIDINIUM IODIDE; P9XKF3BE4QPyridinium, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-, iodide (1:1)
물성
구조 계산 물성
- 극성 표면적
- 67.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 255
물리화학적 성질
- 녹는점
- 114 · 114-114.5 °C(Solvent: Acetone)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 3-(4-(Hexyloxy)-1,2,5-thiadiazol-3-yl)-1-methylpyridin-1-ium iodide (EC: 881-612-2)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사55 곳
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
北京海步医药科技有限公司67886402 15600038801 · [email protected]
山东玖玥生物科技有限公司18853316981 · [email protected]
Nantong Honglong Chemical Co., Ltd+86-86-13078814179 +8619052560825 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海星酶生物科技有限公司18112588827 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
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