Chemical Properties of 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA

4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA

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InChI
InChI=1S/C15H16F3NO5/c1-8(20)11-7-12(23-3)10(4-5-19-9(2)21)6-13(11)24-14(22)15(16,17)18/h6-7H,4-5H2,1-3H3,(H,19,21)
InChI Key
ZGXQPGGIZHJZQD-UHFFFAOYSA-N
Formula
C15H16F3NO5
SMILES
COc1cc(C(C)=O)c(OC(=O)C(F)(F)F)cc1CCNC(C)=O
Molecular Weight1
347.29
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Physical Properties

Property Value Unit Source
ΔfG° -930.02 kJ/mol Joback Calculated Property
ΔfH°gas -1296.60 kJ/mol Joback Calculated Property
ΔfusH° 41.58 kJ/mol Joback Calculated Property
ΔvapH° 80.99 kJ/mol Joback Calculated Property
log10WS -3.83 Crippen Calculated Property
logPoct/wat 2.044 Crippen Calculated Property
McVol 230.190 ml/mol McGowan Calculated Property
Pc 1857.91 kPa Joback Calculated Property
Inp 2120.00 NIST
Tboil 835.42 K Joback Calculated Property
Tc 1038.65 K Joback Calculated Property
Tfus 573.89 K Joback Calculated Property
Vc 0.899 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [683.74; 736.84] J/mol×K [835.42; 1038.65] Show Hide
Cp,gas 683.74 J/mol×K 835.42 Joback Calculated Property
Cp,gas 694.84 J/mol×K 869.29 Joback Calculated Property
Cp,gas 705.02 J/mol×K 903.16 Joback Calculated Property
Cp,gas 714.29 J/mol×K 937.04 Joback Calculated Property
Cp,gas 722.67 J/mol×K 970.91 Joback Calculated Property
Cp,gas 730.18 J/mol×K 1004.78 Joback Calculated Property
Cp,gas 736.84 J/mol×K 1038.65 Joback Calculated Property

Similar Compounds

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II. 2-(4-Acetyl-5-hydroxy-2-methoxyphenyl)ethylamine, N-acetyl-. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I. 2-(2-Trifluoroacetoxy-5-methoxy-4-ethylphenyl)ethylamine, N-trifluoroacetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl), isomer 2, 2TFA. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, II. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl), bisTFA, I. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (-COOH N-acetyl), methyl. 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-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), 2TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-), 2TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, di-TFA. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-. 2-(2,5-Dimethoxy-4-ethylphenyl)-2-acetoxyethylamine, N-acetyl-.

Find more compounds similar to 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA.

Sources

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