compound introduction
Tilisolol是异喹啉类化合物。
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Daily chemical industry
4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylisoquinolin-1-one
CAS number：85136-71-6 molecular formula：C17H24N2O3
overview
Specs
| Chinese alias | - | ||
| English alias | Tilisolol; (+-)-4-(3-tert-Butylamino-2-hydroxypropoxy)-2-methyl-1(2H)-isoquinolinone; 1(2H)-Isoquinolinone, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-2-methyl- (9CI); 4-(3-tert-Butylamino-2-hydroxypropoxy)-2-methyl-1,2-dihydroisoquinoline-1-one; 4 | ||
| CAS number | 85136-71-6 | molecular formula | C17H24N2O3 |
| molecular weight | 304.4 | Exact mass | - |
| PSA | 61.8 | logp | 1.1 |
numbering system
| CAS | 85136-71-6 |
| UNII | QUF41MF56G |
| HMDB ID | HMDB0259093 |
| KEGG ID | D08598 |
| ChEBI ID | 135291 |
| Wikidata | Q7802167 |
| ChEMBL ID | CHEMBL1742457 |
| Wikipedia | Tilisolol |
| DrugCentral | 2665 |
| PubChem CID | 5474 |
| Nikkaji Number | J372.135C |
| NCI 词表代码 | C76560 |
| DSSTox Substance ID | DTXSID0043846 |
| PubChem Reference Collection SID | 500833433 |
| International Nonproprietary Names (INN) | TILISOLOL |
physicochemical properties
| XLogP3 | XLogP3-AA: 1.1 |
| 复杂性 | 428 |
| Exact Mass | 304.17869263 |
| 形式电荷 | 0 |
| 重原子计数 | 22 |
| Molecular Weight | 304.4 |
| Monoisotopic Mass | 304.17869263 |
| 可旋转键计数 | 6 |
| 氢键供体计数 | 2 |
| 氢键受体计数 | 4 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 61.8 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 1 |
Safety information
No safety information yet
Production methods and uses
purpose
工业应用参考：
工业分类参考：食品制造业。
应用场景参考：适用于实验室研发、教学科研和技术验证场景，常用于新产品开发、方法建立和样品评估 。
作用参考：在电池、电子、信息材料和高端制造等技术方向，常被视为可拓展的功能材料或中间材料 。
选型提示：面向研发或检测用途时，建议同步评估品牌一致性、批次稳定性和后续技术支持能力 。
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upstream information
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downstream information
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MSDS
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