Chemical Properties of Benfluorex (CAS 23602-78-0)

Benfluorex

InChI
InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3
InChI Key
CJAVTWRYCDNHSM-UHFFFAOYSA-N
Formula
C19H20F3NO2
SMILES
CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1
Molecular Weight1
351.36
CAS
23602-78-0
Other Names
  • Ethanol, 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, benzoate
  • Ethanol, 2-(«alpha»-methyl-m-trifluoromethylphenethylamino)-, benzoate
  • N-(2-Hydroxyethyl)-«alpha»-methyl-m-trifluoromethylphenethylamine benzoate
  • 2-(«alpha»-Methyl-m-trifluoromethylphenethylamino)ethanol benzoate
  • Phenethylamine, N-(2-hydroxyethyl)-«alpha»-methyl-m-trifluoromethyl-, benzoate
  • 2-[[«alpha»-Methyl-m-(trifluoromethyl)phenethyl]amino]ethanol benzoate (ester)
  • Minolip
  • S-780
  • SE-780
  • Benfluramate
  • N-(2-Benzoyloxyethyl)norfenfluramine
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Physical Properties

Property Value Unit Source
ΔfusH° 40.43 kJ/mol Joback Calculated Property
log10WS -3.60 Relay (1.0) Calculated Property
logPoct/wat 4.083 Crippen Calculated Property
McVol 253.780 ml/mol McGowan Calculated Property
Pc 1619.37 kPa Joback Calculated Property
Inp [2160.00; 2160.00]   Show Hide
Inp 2160.00 NIST
Inp 2160.00 NIST
Tboil 652.60 K Relay (1.0) Calculated Property
Tfus 357.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [757.70; 829.09] J/mol×K [795.19; 1005.44] Show Hide
Cp,gas 757.70 J/mol×K 795.19 Joback Calculated Property
Cp,gas 772.30 J/mol×K 830.23 Joback Calculated Property
Cp,gas 785.72 J/mol×K 865.27 Joback Calculated Property
Cp,gas 798.04 J/mol×K 900.32 Joback Calculated Property
Cp,gas 809.33 J/mol×K 935.36 Joback Calculated Property
Cp,gas 819.65 J/mol×K 970.40 Joback Calculated Property
Cp,gas 829.09 J/mol×K 1005.44 Joback Calculated Property

Similar Compounds

Phenmetrazine. QUINIDINE, AC. QUINIDINE, M(N-OXIDE), AC. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Naltrexone. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to Benfluorex.

Sources

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