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
ω 0.6058 Relay (1.0) Calculated Property
ΔfG° -554.22 kJ/mol Joback Calculated Property
ΔfH°gas -1020.80 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.63 kJ/mol Joback Calculated Property
ΔvapH° 79.76 kJ/mol Relay (1.0) Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
log10WS -2.43 Relay (1.0) Calculated Property
logPoct/wat 2.367 Crippen Calculated Property
McVol 188.010 ml/mol McGowan Calculated Property
Pc 2340.56 kPa Joback Calculated Property
Tboil 564.06 K Relay (1.0) Calculated Property
Tc 761.97 K Relay (1.0) Calculated Property
Tfus 311.53 K Relay (1.0) Calculated Property
Vc 0.706 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [526.47; 594.29] J/mol×K [659.24; 861.44] Show Hide
Cp,gas 526.47 J/mol×K 659.24 Joback Calculated Property
Cp,gas 539.94 J/mol×K 692.94 Joback Calculated Property
Cp,gas 552.43 J/mol×K 726.64 Joback Calculated Property
Cp,gas 564.03 J/mol×K 760.34 Joback Calculated Property
Cp,gas 574.82 J/mol×K 794.04 Joback Calculated Property
Cp,gas 584.88 J/mol×K 827.74 Joback Calculated Property
Cp,gas 594.29 J/mol×K 861.44 Joback 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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