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55314-16-4

Name 1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one
CAS 55314-16-4
EINECS(EC#) 1533716-785-6
Molecular Formula C10H12N2O
MDL Number MFCD00115180
Molecular Weight 176.22
MOL File 55314-16-4.mol
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Chemical Properties

Appearance Off-White Solid
Melting point  86-88
Boiling point  281.4±36.0 °C(Predicted)
density  1.070±0.06 g/cm3(Predicted)
vapor pressure  0.049Pa at 20℃
storage temp.  Inert atmosphere,Room Temperature
solubility  Soluble in chloroform and dichloromethane.
form  powder to crystal
pka 6.19±0.70(Predicted)
color  Light yellow to Brown
Usage Imatinib intermediate
Detection Methods HPLC
InChI InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3
InChIKey MZLRFUCMBQWLNV-FNORWQNLSA-N
SMILES C(C1=CC=CN=C1)(=O)C=CN(C)C
LogP 0.26 at 20℃ and pH7.2
Surface tension 71.8mN/m at 1.008g/L and 20℃
CAS DataBase Reference 55314-16-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29333990

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