| Identification | Back Directory | [Name]
(Z)-Methyl 3-aMino-4-(2,4,5-trifluorophenyl)but-2-enoate | [CAS]
881995-70-6 | [Synonyms]
881995-70-6
Sitagliptin Impurity 95
(Z)-Methyl 3-aMino-4-(2,4,5-trifluorophenyl)but-2-enoate
2-Butenoic acid, 3-aMino-4-(2,4,5-trifluorophenyl)-, Methyl ester, (2Z)- | [Molecular Formula]
C11H10F3NO2 | [MDL Number]
MFCD26961273 | [MOL File]
881995-70-6.mol | [Molecular Weight]
245.2 |
| Chemical Properties | Back Directory | [Melting point ]
70-71 °C | [Boiling point ]
347.4±42.0 °C(Predicted) | [density ]
1.325±0.06 g/cm3(Predicted) | [pka]
3.95±0.70(Predicted) | [InChI]
InChI=1S/C11H10F3NO2/c1-17-11(16)4-7(15)2-6-3-9(13)10(14)5-8(6)12/h3-5H,2,15H2,1H3/b7-4- | [InChIKey]
XKJLQAJESSUVAA-DAXSKMNVSA-N | [SMILES]
C(OC)(=O)/C=C(\N)/CC1=CC(F)=C(F)C=C1F |
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