| 英文别名 | 3-{(3R,4R)-3-[6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methyl-1-piperidinyl}-3-oxopropanenitrile: |
| CAS号 | 1640972-35-5 |
| SMILES | C[C@@H]1CCN(C[C@@H]1N(C)c2c3c(ncn2)NCC3)C(=O)CC#N |
| Inchi | InChI=1S/C16H22N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h10-11,13H,3-5,7-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 |
| InchiKey | PEURVXMHTIUQCG-YPMHNXCESA-N |
| 分子式 Formula | C16H22N6O |
| 分子量 Molecular Weight | 314 |
| 闪点 FP | 306.5±30.1 ℃ |
| 沸点 Boiling point | 583.2±50.0 ℃ at 760 mmHg |
| Polarizability极化度 | 34.1±0.5 10-24cm3 |
| 密度 Density | 1.2±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.6 mmHg at 25℃ |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
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