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149950-60-7

Name emivirine
CAS 149950-60-7
Molecular Formula C17H22N2O3
MDL Number MFCD00922636
Molecular Weight 302.37
MOL File 149950-60-7.mol
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Chemical Properties

Melting point  109.1-110.7 °C(Solv: ethanol (64-17-5); water (7732-18-5))
density  1.133±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
form  Solid
pka 9.46±0.40(Predicted)
color  White to off-white
InChI InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
InChIKey MLILORUFDVLTSP-UHFFFAOYSA-N
SMILES C1(=O)N(COCC)C(CC2=CC=CC=C2)=C(C(C)C)C(=O)N1

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.

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