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851307-12-5

Name Sitagliptin Defuoro IMpurity 3
CAS 851307-12-5
Molecular Formula C15H19F2NO4
Molecular Weight 315.31
MOL File 851307-12-5.mol

Chemical Properties

Boiling point  444.3±45.0 °C(Predicted)
density  1.243±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
pka 4.37±0.10(Predicted)
InChI InChI=1/C15H19F2NO4/c1-15(2,3)22-14(21)18-11(8-13(19)20)6-9-4-5-10(16)7-12(9)17/h4-5,7,11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t11-/s3
InChIKey LUYHWLQWAVCDNA-LBPXTSNRNA-N
SMILES C(O)(=O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(F)C=C1F |&1:4,r|

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H320-H335
Precautionary statements  P264-P270-P301+P312-P330

Hazard Information

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