504-97-2

Name Sanshool
CAS 504-97-2
Molecular Formula C16H25NO
MDL Number MFCD22380929
Molecular Weight 247.38
MOL File 504-97-2.mol
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Chemical Properties

Melting point  63-65 °C
Boiling point  423.5±38.0 °C(Predicted)
density  0.904±0.06 g/cm3(Predicted)
pka 15.06±0.46(Predicted)
InChI InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+
InChIKey SBXYHCVXUCYYJT-UEOYEZOQSA-N
SMILES C(NCC(C)C)(=O)/C=C/CC/C=C\C=C\C=C\C

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