| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1803026-58-5 |
| Catalog No. | 2A-4176714 |
| Chinese Name | (E)-1-(3-(三氟甲基)-5,6-二氢-[1,2,4]三唑并[4,3-a]吡嗪-7(8H)-基)-4-(2,4,5-三氟苯基)丁-3-烯-1-酮(西格列汀杂质) |
| Synonyms | Exact Mass 390.091522; LogP 2.22; Index of Refraction 1.565; InChIKey BLDAVCZELRQXFP-OWOJBTEDSA-N; Synonyms |
| Molecular Formula | C16H12F6N4O |
| Molecular Weight | 390.28 |
| Purity | 98% |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 504.1±60.0 °C at 760 mmHg |
| Water Solubility | Insuluble (1.3E-3 g/L) (25 ºC) |
| Storage Condition | 2-8°C |
| MDL Number | MFCD20133901 |
| SMILES | O=C(CC=Cc1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1 |
| InChI Key | BLDAVCZELRQXFP-OWOJBTEDSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Transport Info | Product name: (E)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-3-en-1-one (sitagliptin impurity) |
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