basic_info |
|
| Product_Name： | N-DEMETHYLECHITAMINE |
| CAS： | 60048-88-6 |
| EnglishSynonyms： | N-DEMETHYLECHITAMINE |
| pro_mdlNumber： | MFCD17214797 |
| pro_acceptors： | 6 |
| pro_donors： | 3 |
| pro_smile： | C/C=C\1/CN2CC[C@@]34C2([C@H](C[C@@H]1C3(CO)C(=O)OC)O)Nc5c4cccc5 |
| InChi： | InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3-/t15-,17-,19?,20-,21?/m0/s1 |
| InChiKey： | InChIKey=VZZBVNLFHYEUHM-PFFCDBFESA-N |
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