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1792180-81-4

Name 1-((2S,5R)-5-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one
CAS 1792180-81-4
Molecular Formula C15H19N5O
MDL Number MFCD31697544
Molecular Weight 285.34
MOL File 1792180-81-4.mol
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Chemical Properties

density  1.272±0.06 g/cm3(Predicted)
storage temp.  room temp
solubility  DMSO:100.0(Max Conc. mg/mL);350.4(Max Conc. mM)
H2O:5.0(Max Conc. mg/mL);17.5(Max Conc. mM)
form  powder
pka 13.03±0.50(Predicted)
color  white to beige
InChI InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1
InChIKey CBRJPFGIXUFMTM-WDEREUQCSA-N
SMILES C(N1C[C@H](NC2N=CN=C3NC=CC3=2)CC[C@@H]1C)(=O)C=C

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

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