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
Sources

Physical Properties

Property Value Unit Source
Δf -809.52 kJ/mol Joback Calculated Property
Δfgas -1163.38 kJ/mol Joback Calculated Property
Δfus 37.39 kJ/mol Joback Calculated Property
Δvap 72.02 kJ/mol Joback Calculated Property
logPoct/wat 2.15 Crippen Calculated Property
Pc 1911.91 kPa Joback Calculated Property
Tboil 758.67 K Joback Calculated Property
Tc 955.03 K Joback Calculated Property
Tfus 512.69 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 617.07 J/mol×K 758.67 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I. 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-oxo-N-acetyl-), TFA. 4-ethyl-2,5-dimethoxy-.beta.-phenethylamine-M, (HO-N-acetyl-), 2TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, di-TFA. 4-ethyl-2,5-dimethoxy-.beta.-phenethylamine-M, (HO-), 2TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, di-TFA. 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. 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 2, diacetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, diacetylated. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC. 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.

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