Chemical Properties of 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 2, acetylated

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InChI
InChI=1S/C16H23NO5/c1-6-13-14(20-4)9-12(7-8-17-10(2)18)15(21-5)16(13)22-11(3)19/h9H,6-8H2,1-5H3,(H,17,18)
InChI Key
GPYYHHRPVIZBAX-UHFFFAOYSA-N
Formula
C16H23NO5
SMILES
CCc1c(OC)cc(CCNC(C)=O)c(OC)c1OC(C)=O
Molecular Weight1
309.36
Sources

Physical Properties

Property Value Unit Source
Δf -325.72 kJ/mol Joback Calculated Property
Δfgas -751.27 kJ/mol Joback Calculated Property
Δfus 41.54 kJ/mol Joback Calculated Property
Δvap 83.29 kJ/mol Joback Calculated Property
logPoct/wat 1.87 Crippen Calculated Property
Pc 1743.37 kPa Joback Calculated Property
Tboil 837.25 K Joback Calculated Property
Tc 1043.33 K Joback Calculated Property
Tfus 565.79 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 729.35 J/mol×K 837.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 5
=CH- (ring) 1
=C< (ring) 5
-CH2- 3
>NH 1
>C=O (nonring) 2

Similar Compounds

4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 1, acetylated. 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. 4-ethyl-2,5-dimethoxy-.beta.-phenethylamine-M, (HO-N-acetyl-), 2TFA. 4-ethyl-2,5-dimethoxy-.beta.-phenethylamine-M, (HO-), 2TFA. 2,5-Dimethoxy-4-methyl-.beta.-phenethylamine-M (OH-), diacetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 2, methyl-acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 1, methyl-acetylated. 2,5-Dimethoxy-4-methyl-.beta.-phenethylamine-M (HO-), bisTFA. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II. 6-Methoxythymol isobutyrate. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, acetoxy-M. 2-(Isobutyryloxy)-thymol methyl ether.

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