basic_info |
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| Product_Name： | 己可碱 |
| CAS： | 1028-33-7 |
| 中文同义词： | 1-正己基可可碱 ; 己可碱 |
| EnglishSynonyms： | 1-HEXYLTHEOBROMIDE ; 1-HEXYLTHEOBROMINE ; 1-N-HEXYL-3,7-DIMETHYLXANTHINE ; PENTIFYLLINE ; 1-HEXYL-3,7-DIMETHYLXANTHINE ; 1-N-HEXYLTHEOBROMINE |
| pro_mdlNumber： | MFCD00041424 |
| pro_acceptors： | 6 |
| pro_donors： | 0 |
| pro_smile： | CCCCCCn1c(=O)c2c(ncn2C)n(c1=O)C |
| InChi： | InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3 |
| InChiKey： | InChIKey=MRWQRJMESRRJJB-UHFFFAOYSA-N |
property |
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| MeltingPoint： | 80-81 DEG C |
| Boiling_Point： | DENSITY: 1.09 |
| Comments： | BRN: 270632 EINECS: 213-842-0 HARMFUL HAZARD: R 22 HAZARD: S 36 MERCK: 14,7127 RTECS: UO8450000 |
secure_info |
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