| 中文别名 | 阿格列汀杂质1108732-05-3;1638544-64-5(benzoic acid) |
| 英文别名 | (S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile |
| CAS号 | 1108732-05-3 |
| SMILES | O=C1N(/C(=C\C(=O)N1C)N2CCCC(N)C2)Cc3ccccc3C#NCopyCopied |
| Inchi | InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3CopyCopied |
| InchiKey | ZSBOMTDTBDDKMP-UHFFFAOYSA-NCopyCopied |
| 分子式 Formula | C18H21N5O2 |
| 分子量 Molecular Weight | 339.39 |
| 闪点 FP | 267.8±32.9 ℃ |
| 沸点 Boiling point | 519.2±60.0 ℃ at 760 mmHg |
| Polarizability极化度 | 37.0±0.5 10-24cm3 |
| 密度 Density | 1.3±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.4 mmHg at 25℃ |
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