basic_info |
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| Product_Name: | 1-ADAMANTANECARBOXYLIC ACID 2-(5-(P-TOLYL)-3-AS-TRIAZINYL)HYDRAZIDE HYDROCHLORIDE |
| CAS: | 77966-95-1 |
| EnglishSynonyms: | 1-ADAMANTANECARBOXYLIC ACID 2-(5-(P-TOLYL)-3-AS-TRIAZINYL)HYDRAZIDE HYDROCHLORIDE |
| pro_mdlNumber: | MFCD01673999 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | Cc1ccc(cc1)c2cnnc(n2)NNC(=O)[C@]34C[C@@H]5C[C@H](C3)C[C@@H](C5)C4.Cl |
| InChi: | InChI=1S/C21H25N5O.ClH/c1-13-2-4-17(5-3-13)18-12-22-25-20(23-18)26-24-19(27)21-9-14-6-15(10-21)8-16(7-14)11-21;/h2-5,12,14-16H,6-11H2,1H3,(H,24,27)(H,23,25,26);1H/t14-,15+,16-,21-; |
| InChiKey: | InChIKey=WCTVYHFUCVMFGN-TWRYCHHLSA-N |
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