Chemical Properties of Fenproporex-M (di-HO-), 3AC

Fenproporex-M (di-HO-), 3AC

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InChI
InChI=1S/C18H22N2O5/c1-12(20(13(2)21)9-5-8-19)10-16-6-7-17(24-14(3)22)11-18(16)25-15(4)23/h6-7,11-12H,5,9-10H2,1-4H3
InChI Key
MOBIQLIDDZARRS-UHFFFAOYSA-N
Formula
C18H22N2O5
SMILES
CC(=O)Oc1ccc(CC(C)N(CCC#N)C(C)=O)c(OC(C)=O)c1
Molecular Weight1
346.38
Sources

Physical Properties

Property Value Unit Source
Δf -161.41 kJ/mol Joback Calculated Property
Δfgas -576.31 kJ/mol Joback Calculated Property
Δfus 43.82 kJ/mol Joback Calculated Property
Δvap 96.45 kJ/mol Joback Calculated Property
logPoct/wat 2.23 Crippen Calculated Property
Pc 1588.54 kPa Joback Calculated Property
Tboil 968.41 K Joback Calculated Property
Tc 1193.05 K Joback Calculated Property
Tfus 620.79 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 833.51 J/mol×K 968.41 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethylamphetamine-M (HO-methoxy-), 2AC. Fenproporex-M (N-desalkyl-HO-methoxy-), 2AC. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-HO-aryl-), 3AC. Oxprenolol hydroxy , isomer I, acetylated. Fenproporex-M (desamino-oxo-di-HO), 2AC. Oxprenolol hydroxy - H2O, isomer I, acetylated. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (di-HO-), 2AC. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-HO-toluol-), AC. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated. 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, (hydroxyl-N-acetyl)-isomer 2, acetylated. 4,5-METHYLENEDIOXYAMPHETAMINE, 2-METHOXY-. 2,4-Dimethoxyamphetamine.

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