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

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
ΔfusH° 38.97 kJ/mol Joback Calculated Property
logPoct/wat 2.150 Crippen Calculated Property
McVol 214.530 ml/mol McGowan Calculated Property
Inp 2050.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [324.86; 689.15] 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 A5.00120e+01
Coefficient B1.16786e+00
Coefficient C-6.13180e-04
Coefficient D8.44600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.86 J/mol×K 273.00 Calculated Property
Cp,gas 390.17 J/mol×K 353.78 Calculated Property
Cp,gas 448.65 J/mol×K 434.56 Calculated Property
Cp,gas 500.57 J/mol×K 515.33 Calculated Property
Cp,gas 546.18 J/mol×K 596.11 Calculated Property
Cp,gas 585.77 J/mol×K 676.89 Calculated Property
Cp,gas 619.59 J/mol×K 757.67 Calculated Property
Cp,gas 647.92 J/mol×K 838.44 Calculated Property
Cp,gas 671.02 J/mol×K 919.22 Calculated Property
Cp,gas 689.15 J/mol×K 1000.00 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-. 2-(4-Acetyl-5-acetoxy-2-methoxyphenyl)ethylamine, N-acetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-), 2TFA.

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

Sources

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