Chemical Properties of 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II

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InChI
InChI=1S/C14H16F3NO4/c1-8-6-12(21-3)10(4-5-18-9(2)19)7-11(8)22-13(20)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,19)
InChI Key
LOJHCDGIXOKJPH-UHFFFAOYSA-N
Formula
C14H16F3NO4
SMILES
COc1cc(C)c(OC(=O)C(F)(F)F)cc1CCNC(C)=O
Molecular Weight1
319.28
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Physical Properties

Property Value Unit Source
ΔfG° -809.52 kJ/mol Joback Calculated Property
ΔfH°gas -1163.38 kJ/mol Joback Calculated Property
ΔfusH° 37.39 kJ/mol Joback Calculated Property
ΔvapH° 72.02 kJ/mol Joback Calculated Property
log10WS -3.65 Crippen Calculated Property
logPoct/wat 2.150 Crippen Calculated Property
McVol 214.530 ml/mol McGowan Calculated Property
Pc 1911.91 kPa Joback Calculated Property
Inp 2050.00 NIST
Tboil 758.67 K Joback Calculated Property
Tc 955.03 K Joback Calculated Property
Tfus 512.69 K Joback Calculated Property
Vc 0.838 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [617.07; 678.48] J/mol×K [758.67; 955.03] Show Hide
Cp,gas 617.07 J/mol×K 758.67 Joback Calculated Property
Cp,gas 629.36 J/mol×K 791.40 Joback Calculated Property
Cp,gas 640.81 J/mol×K 824.12 Joback Calculated Property
Cp,gas 651.42 J/mol×K 856.85 Joback Calculated Property
Cp,gas 661.23 J/mol×K 889.57 Joback Calculated Property
Cp,gas 670.25 J/mol×K 922.30 Joback Calculated Property
Cp,gas 678.48 J/mol×K 955.03 Joback Calculated Property

Similar Compounds

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, II. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl), isomer 2, 2TFA. 2-(2-Trifluoroacetoxy-5-methoxy-4-ethylphenyl)ethylamine, N-trifluoroacetyl-. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, I. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated. 2-(2-Acetoxy-5-methoxy-4-ethylphenyl)ethylamine, N-acetyl-. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), 2TFA. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, TFA. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-trifluoroacetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-), 2TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 2, acetylated.

Find more compounds similar to 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II.

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