18696-26-9

Name Sinapine
CAS 18696-26-9
Molecular Formula [C16H24NO5]+.
MDL Number MFCD09837796
MOL File 18696-26-9.mol

Chemical Properties

Melting point  178℃
storage temp.  4°C, away from moisture and light
solubility  DMSO : 250 mg/mL (805.52 mM; Need ultrasonic)
form  Powder
color  Off-white to yellow
InChI InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
InChIKey HUJXHFRXWWGYQH-UHFFFAOYSA-O
SMILES C1(O)=C(OC)C=C(C=C1OC)/C=C/C(OCC[N+](C)(C)C)=O
LogP -3.370 (est)

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