2-[(E)-(1-Benzyl-4-piperidinyl)methylidene]-5,6-dimethoxy-1-indanone

Chemical Properties

Melting point	175-177 °C
Boiling point	542.8±50.0 °C(Predicted)
Density	1.209±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
solubility	DMSO (Sparingly), Methanol (Slightly)
form	Solid
pka	8.17±0.10(Predicted)
color	Pale Yellow to Light Yellow
Major Application	pharmaceutical (small molecule)
InChI	1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
InChIKey	LPMOTUSFDTTWJL-UDWIEESQSA-N
SMILES	N2(CCC(CC2)\C=C3/Cc4c(cc(c(c4)OC)OC)C/3=O)Cc1ccccc1
CAS DataBase Reference	145546-80-1

WGK Germany	WGK 1
HS Code	2933399090
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 2 Oral

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