2062-84-2

Name Benperidol
CAS 2062-84-2
EINECS(EC#) 218-172-2
Molecular Formula C22H24FN3O2
MDL Number MFCD00866672
Molecular Weight 381.44
MOL File 2062-84-2.mol

Chemical Properties

Appearance White or almost white powder.
Melting point  170-171.8°
Boiling point  230.3°C (rough estimate)
density  1.1876 (estimate)
storage temp.  Store at -20°C
solubility  Practically insoluble in water, freely soluble in dimethylformamide, soluble in methylene chloride, slightly soluble in ethanol (96 per cent).
form  neat
pka 12.04±0.30(Predicted)
color  White to off-white
Major Application pharmaceutical (small molecule)
InChI 1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
InChIKey FEBOTPHFXYHVPL-UHFFFAOYSA-N
SMILES Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)[n]3c4c([nH][c]3=O)cccc4
CAS DataBase Reference 2062-84-2(CAS DataBase Reference)
NIST Chemistry Reference Benperidol(2062-84-2)

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