compound introduction
2-(甲基胺)-1-苯基-1-丙醇已在麻黄(Ephedra distachya)和麻黄(Ephedra)中有报道,有数据可用。
CAS number:90-81-3 molecular formula:C10H15NO
2-(甲基胺)-1-苯基-1-丙醇已在麻黄(Ephedra distachya)和麻黄(Ephedra)中有报道,有数据可用。
| Chinese alias | - | ||
| English alias | Benzenemethanol,a-[1-(methylamino)ethyl]-,(R*,S*)-(?à)-; Ephedrine, (?à)- (8CI); (R*,S*)-a-[1-(Methylamino)ethyl]benzenemethanol; (?à)-2-Methylamino-1-phenyl-1-propanol; (?à)-Ephedrine; (?à)-a-Hydroxy-b-methylaminopropylbenzene; Benzenemethanol, a-[1-(met | ||
| CAS number | 90-81-3 | molecular formula | C10H15NO |
| molecular weight | 165.23 | Exact mass | - |
| PSA | 32.3 | logp | 0.9 |
| CAS | 90-81-3 |
| HMDB ID | HMDB0246924 |
| KEGG ID | C22822 |
| Wikidata | Q105146923 |
| ChEMBL ID | CHEMBL279157 |
| Wikipedia | Racephedrine |
| NSC Number | NSC Number: NSC8971 |
| 废弃 CAS | 90-83-5 |
| DrugBank ID | DB14752 |
| PubChem CID | 5032 |
| Nikkaji Number | J69.045G |
| NCI 词表代码 | C81363 |
| DSSTox Substance ID | DTXSID70858959 |
| European Community (EC) Number | 202-017-0 |
| PubChem Reference Collection SID | 518175244 |
| XLogP3 | 0.9 |
| 复杂性 | 121 |
| Exact Mass | 165.115364102 |
| 形式电荷 | 0 |
| 解离常数 | 碱性pKa:9.73 |
| 重原子计数 | 12 |
| Molecular Weight | 165.23 |
| Monoisotopic Mass | 165.115364102 |
| 可旋转键计数 | 3 |
| 氢键供体计数 | 2 |
| 氢键受体计数 | 2 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 32.3 Ų |
| Collision Cross Section | 137.61 Ų [M+H]+ |
| 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 |
No upstream information yet
No downstream information yet