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1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone
CAS number：39552-01-7 molecular formula：C16H21NO4
overview
Specs
| Chinese alias | - | ||
| English alias | 1-(7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone; 2-acetyl-7-(2-hyroxy-3-isopropylaminopropoxy)benzofuran; 7-(2-hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone; befunolol; 1-(7-(2-hydroxy-3-((1-methylethyl)amino)pro | ||
| CAS number | 39552-01-7 | molecular formula | C16H21NO4 |
| molecular weight | 291.34 | Exact mass | - |
| PSA | 71.7 | logp | 2 |
numbering system
| CAS | 39552-01-7 |
| UNII | 418546MT3A |
| HMDB ID | HMDB0248930 |
| KEGG ID | D07496 |
| ChEBI ID | 135212 |
| Wikidata | Q4880388 |
| ChEMBL ID | CHEMBL153984 |
| Wikipedia | Befunolol |
| DrugBank ID | DB09013 |
| DrugCentral | 295 |
| PubChem CID | 2309 |
| Related CAS | 39543-79-8 (盐酸盐) |
| Nikkaji Number | J16.631F |
| NCI 词表代码 | C73021 |
| DSSTox Substance ID | DTXSID80865957 |
| Metabolomics Workbench ID | 152086 |
| PubChem Reference Collection SID | 500760293 |
| International Nonproprietary Names (INN) | BEFUNOLOL |
physicochemical properties
| XLogP3 | 2 |
| 熔点 | 115 |
| 复杂性 | 347 |
| Exact Mass | 291.14705815 |
| 形式电荷 | 0 |
| 重原子计数 | 21 |
| Molecular Weight | 291.34 |
| Monoisotopic Mass | 291.14705815 |
| 可旋转键计数 | 7 |
| 氢键供体计数 | 2 |
| 氢键受体计数 | 5 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 71.7 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：农副食品加工业。
应用场景参考：常见于生产制造场景，可作为主料、辅料、添加剂或工艺辅助材料参与配方与加工流程 。
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：采购时应优先考虑适配性、可追溯性和持续供货能力，避免只按价格高低判断材料优劣 。
Related
upstream information
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downstream information
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MSDS
Found 0 shareMSDS
