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

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

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InChI
InChI=1S/C15H21NO4/c1-5-12-8-14(19-4)13(6-7-16-10(2)17)9-15(12)20-11(3)18/h8-9H,5-7H2,1-4H3,(H,16,17)
InChI Key
WKATUUYRHZTMMY-UHFFFAOYSA-N
Formula
C15H21NO4
SMILES
CCc1cc(OC)c(CCNC(C)=O)cc1OC(C)=O
Molecular Weight1
279.33
Sources

Physical Properties

Property Value Unit Source
Δf -219.51 kJ/mol Joback Calculated Property
Δfgas -586.94 kJ/mol Joback Calculated Property
Δfus 38.15 kJ/mol Joback Calculated Property
Δvap 77.99 kJ/mol Joback Calculated Property
logPoct/wat 1.86 Crippen Calculated Property
Pc 1945.79 kPa Joback Calculated Property
Tboil 786.97 K Joback Calculated Property
Tc 993.33 K Joback Calculated Property
Tfus 519.77 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 646.71 J/mol×K 786.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 2
=C< (ring) 4
-CH2- 3
>NH 1
-CH3 4

Similar Compounds

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, I. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-HO-aryl-), 3AC. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, diacetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 2, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 1, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (OH-N-acetyl-), isomer 2, propionylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated. Tert-butylhydroquinone, diacetate. 6-Methoxythymyl isobutyrate. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, I. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, II.

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