Chemical Properties of 2-(4-Acetyl-5-acetoxy-2-methoxyphenyl)ethylamine, N-acetyl-

2-(4-Acetyl-5-acetoxy-2-methoxyphenyl)ethylamine, N-acetyl-

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InChI
InChI=1S/C15H19NO5/c1-9(17)13-8-14(20-4)12(5-6-16-10(2)18)7-15(13)21-11(3)19/h7-8H,5-6H2,1-4H3,(H,16,18)
InChI Key
CISVDWYZGPTYMJ-UHFFFAOYSA-N
Formula
C15H19NO5
SMILES
COc1cc(C(C)=O)c(OC(C)=O)cc1CCN=C(C)O
Molecular Weight1
293.32
Other Names
  • 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl), acetylated
Sources

Physical Properties

Property Value Unit Source
Δfgas -720.21 kJ/mol Joback Calculated Property
Δvap 91.63 kJ/mol Joback Calculated Property
logPoct/wat 2.34 Crippen Calculated Property
Pc 1910.24 kPa Joback Calculated Property
Tboil 905.54 K Joback Calculated Property
Tc 1120.71 K Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. 2,5-Dihydroxyacetophenone, diacetate. 2'-Hydroxy-5'-methoxyacetophenone, acetate. Hydroquinone, 2-trifluoroacetyl, bis-TFA. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (di-HO-), 2AC. 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. 2-(4-Acetyl-2,5-dimethoxyphenyl)acetic acid, methyl ester. Ethanone, 1-(2,5-dimethoxyphenyl)-. 2,5-Dibutyroxy-4-hydroxy butyrophenone. Propafenone hydroxy - H2O, acetylated. PROPAFENONE-H2O, M(DESAMINO-DI-IIO-), AC. Propafenone desamino dihydroxy, acetylated. 2',6'-Dihydroxyacetophenone, acetate.

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