
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1253056-18-6 |
| Catalog No. | 2A-4176713 |
| Chinese Name | (2E)-1-[5,6-二氢-3-(三氟甲基)-1,2,4-三唑并[4,3-a]吡嗪-7(8H)-基]-4-(2,4,5-三氟苯基)-2-丁烯-1-酮 |
| Synonyms | Exact Mass 390.091522; LogP 1.73; Index of Refraction 1.565; InChIKey QSSHJJFVCWMIKH-HNQUOIGGSA-N; Synonyms |
| Molecular Formula | C16H12F6N4O |
| Molecular Weight | 390.28 |
| Purity | 98% |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 517.5±60.0 °C at 760 mmHg |
| Water Solubility | Insuluble (3.4E-3 g/L) (25 ºC) |
| Storage Condition | room temperature |
| MDL Number | MFCD28972394 |
| SMILES | O=C(C=CCc1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1 |
| InChI Key | QSSHJJFVCWMIKH-HNQUOIGGSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Transport Info | Product Name: Sitagliptin Impurity 05 |
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