114709-68-1

Name Nifedipine Impurity J
CAS 114709-68-1
Molecular Formula C16H17N3O5
Molecular Weight 331.32
MOL File 114709-68-1.mol
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Chemical Properties

Melting point  >140°C (dec.)
Boiling point  538.8±50.0 °C(Predicted)
density  1.309±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 15.20±0.70(Predicted)
color  Orange
Stability: Hygroscopic
InChI InChI=1S/C16H17N3O5/c1-8-12(15(17)20)14(13(9(2)18-8)16(21)24-3)10-6-4-5-7-11(10)19(22)23/h4-7,14,18H,1-3H3,(H2,17,20)
InChIKey XWBOVLISSVULHY-UHFFFAOYSA-N
SMILES C1(C)NC(C)=C(C(N)=O)C(C2=CC=CC=C2[N+]([O-])=O)C=1C(OC)=O

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