Chemical Properties of N-Methyl-N-trifluoroacetyl-3,4-methylenedioxyamphetamine (CAS 158097-59-7)

N-Methyl-N-trifluoroacetyl-3,4-methylenedioxyamphetamine

InChI
InChI=1S/C13H14F3NO3/c1-8(17(2)12(18)13(14,15)16)5-9-3-4-10-11(6-9)20-7-19-10/h3-4,6,8H,5,7H2,1-2H3
InChI Key
KACKAPXORIPDQB-UHFFFAOYSA-N
Formula
C13H14F3NO3
SMILES
CC(Cc1ccc2c(c1)OCO2)N(C)C(=O)C(F)(F)F
Molecular Weight1
289.25
CAS
158097-59-7
Other Names
  • MDMA N-TFA
  • MDMA, TFA
  • Methylenedioxyamphetamine N-TFA
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Physical Properties

Property Value Unit Source
ΔfusH° 38.63 kJ/mol Joback Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
logPoct/wat 2.367 Crippen Calculated Property
McVol 188.010 ml/mol McGowan Calculated Property
Tboil 564.06 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [277.37; 627.79] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.69890e+01
Coefficient B1.47534e+00
Coefficient C-1.14642e-03
Coefficient D3.45860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 277.37 J/mol×K 273.00 Calculated Property
Cp,gas 346.78 J/mol×K 353.78 Calculated Property
Cp,gas 406.02 J/mol×K 434.56 Calculated Property
Cp,gas 456.18 J/mol×K 515.33 Calculated Property
Cp,gas 498.36 J/mol×K 596.11 Calculated Property
Cp,gas 533.65 J/mol×K 676.89 Calculated Property
Cp,gas 563.14 J/mol×K 757.67 Calculated Property
Cp,gas 587.94 J/mol×K 838.44 Calculated Property
Cp,gas 609.12 J/mol×K 919.22 Calculated Property
Cp,gas 627.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

Methylenedioxymethamphetamine, n-heptafluorobutyryl deriv.. N-methyl-3,4-methylenedioxyamphetamine. (.+/-.)-MDEA. Methylenedioxyamphetamine acetate. N-Methyl-3,4-dihydroxyphenylalanine, N-TFA-O-TMS. N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 2, 2AC. Methylenedioxyamphetamine, N,-heptafluorobutyryl deriv.. Butylone M (dihydro), 2Ac. Pholedrine N-TFA-O-TMS. Ethylamphetamine-M (di-HO-), 3AC. 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-. R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M ((dihydro-), TMS. Fenproporex-M (di-HO-), 3AC. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC.

Find more compounds similar to N-Methyl-N-trifluoroacetyl-3,4-methylenedioxyamphetamine.

Sources

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