basic_info |
|
| Product_Name： | 咖啡因-三甲基-13C3 |
| CAS： | 78072-66-9 |
| 中文同义词： | 咖啡因-三甲基-13C3 |
| EnglishSynonyms： | CAFFEINE-13C3 ; CAFFEINE (TRIMETHYL-13C3) |
| pro_mdlNumber： | MFCD01075576 |
| pro_acceptors： | 6 |
| pro_donors： | 0 |
| pro_smile： | [13CH3]n1cnc2c1c(=O)n(c(=O)n2[13CH3])[13CH3] |
| InChi： | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1 |
| InChiKey： | InChIKey=RYYVLZVUVIJVGH-VMIGTVKRSA-N |
property |
|
| MeltingPoint： | 234-236.5 DEG C(LIT) |
| Comments： | ASSAY METHOD: CP MASS SHIFT: M+3 RIDADR: UN 1544 6.1/PG 3 UNSPSC: 12142200 WGK: 1 |
| Information： | ISOTOPIC PURITY: 99 ATOM % 13C MW: 197.15 BY ATOM % CALCULATION |
secure_info |
|
| secure_symbol： |
GHS07
|
| secure_signal_word： | Warning |
| secure_risk_stmt： | H302-H412 |
| secure_cautionary_stmt： | P273 |
| secure_damage_code： | Xn |
| secure_risk_disclosure_stmt： | R:22 |
| secure_wgk_germany： | 1 |
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