compound introduction
Protokylol是苯并二噁唑类的一员。
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Daily chemical industry
4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol
CAS number：136-70-9 molecular formula：C18H21NO5
overview
Specs
| Chinese alias | - | ||
| English alias | Benzylalcohol, 3,4-dihydroxy-a-[[[a-methyl-3,4-(methylenedioxy)phenethyl]amino]methyl]-(7CI,8CI); Protocatechuyl alcohol, a-[[(a-methyl-3,4-methylenedioxyphenethyl)amino]methyl]-(6CI); Caytine; JB 251; Protochylol; Protokylol; Ventaire | ||
| CAS number | 136-70-9 | molecular formula | C18H21NO5 |
| molecular weight | 331.4 | Exact mass | - |
| PSA | 91.2 | logp | 2.1 |
numbering system
| CAS | 136-70-9 |
| UNII | 8Y5Y4EEO2V |
| ChEBI ID | 135413 |
| Wikidata | Q7252009 |
| ChEMBL ID | CHEMBL1201273 |
| Wikipedia | Protokylol |
| DrugBank ID | DB06814 |
| DrugCentral | 2318 |
| PubChem CID | 4969 |
| Related CAS | 136-69-6 (盐酸盐) |
| Nikkaji Number | J10.011K |
| NCI 词表代码 | C74198 |
| Pharos Ligand ID | 114QK6SKCQVA |
| DSSTox Substance ID | DTXSID20861796 |
| Metabolomics Workbench ID | 150005 |
| European Community (EC) Number | 205-255-3 |
| PubChem Reference Collection SID | 505865966 |
| International Nonproprietary Names (INN) | PROTOKYLOL |
physicochemical properties
| XLogP3 | XLogP3-AA: 2.1 |
| 复杂性 | 396 |
| Exact Mass | 331.14197277 |
| Human Drugs | 药物 |
| 形式电荷 | 0 |
| 重原子计数 | 24 |
| Molecular Weight | 331.4 |
| Monoisotopic Mass | 331.14197277 |
| 可旋转键计数 | 6 |
| 氢键供体计数 | 4 |
| 氢键受体计数 | 6 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 91.2 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 | 2 |
Safety information
No safety information yet
Production methods and uses
purpose
用途：
药物
工业应用参考：
工业分类参考：医药制造业。
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：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 。
Related
upstream information
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downstream information
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MSDS
Found 0 shareMSDS
