Chemical Properties of Bromperidol (CAS 10457-90-6)

Bromperidol

InChI
InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
InChI Key
RKLNONIVDFXQRX-UHFFFAOYSA-N
Formula
C21H23BrFNO2
SMILES
O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
Molecular Weight1
420.31
CAS
10457-90-6
Other Names
  • 1-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-
  • Butyrophenone, 4-(4-(p-bromophenyl)-4-hydroxypiperidino)-4'-fluoro-
  • Bromoperidol
  • 4-(4-(p-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone
  • 4-(4-(4-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone
  • 4-(4-(4-Bromophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
  • R 11333
  • 1-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-
  • Azurene
  • Impromen
  • Tesoprel
  • 1-(4-Fluorophenyl)-4-[4-hydroxy-4-(4-bromophenyl)-1-piperidinyl]-1-butanone (bromoperidol)
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Physical Properties

Property Value Unit Source
ω 0.8991 Relay (1.0) Calculated Property
ΔfG° -38.50 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -360.00 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 144.77 kJ/mol Relay (1.0) Calculated Property
IE 8.07 eV Relay (1.0) Calculated Property
log10WS -4.32 Relay (1.0) Calculated Property
logPoct/wat 4.535 Crippen Calculated Property
McVol 285.060 ml/mol McGowan Calculated Property
Pc 1507.02 kPa Relay (1.0-beta) Calculated Property
Inp 3023.00 NIST
Tboil 710.83 K Relay (1.0) Calculated Property
Tc 986.88 K Relay (1.0) Calculated Property
Tfus 414.44 K Relay (1.0) Calculated Property
Vc 1.010 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 50.80 kJ/mol 432.70 NIST

Similar Compounds

Moperone. Haloperidol. Trifluperidol. Loperamide. Procyclidine. 1-Piperidinepropanol, «alpha»-cyclopentyl-«alpha»-phenyl-. Trihexyphenidyl. Penfluridol. Mandelic acid, «alpha»-cyclopentyl-, 1-methyl-4-piperidyl ester. Proheptazine. Benazepril Me. N-Desmethylmirtazapine. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Zinc octaethylporphyrin chloride.

Find more compounds similar to Bromperidol.

Sources

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