Chemical Properties of 4-iodo-2,5-dimethoxy-.beta.-phenethylamine, TFA

4-iodo-2,5-dimethoxy-.beta.-phenethylamine, TFA

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InChI
InChI=1S/C12H13F3INO3/c1-19-9-6-8(16)10(20-2)5-7(9)3-4-17-11(18)12(13,14)15/h5-6H,3-4H2,1-2H3,(H,17,18)
InChI Key
ANNXCJDPSSBHSR-UHFFFAOYSA-N
Formula
C12H13F3INO3
SMILES
COc1cc(CCNC(=O)C(F)(F)F)c(OC)cc1I
Molecular Weight1
403.14
Sources

Physical Properties

Property Value Unit Source
Δf -639.32 kJ/mol Joback Calculated Property
Δfgas -932.65 kJ/mol Joback Calculated Property
Δfus 35.02 kJ/mol Joback Calculated Property
Δvap 70.20 kJ/mol Joback Calculated Property
logPoct/wat 2.53 Crippen Calculated Property
Pc 2104.20 kPa Joback Calculated Property
Tboil 752.18 K Joback Calculated Property
Tc 965.84 K Joback Calculated Property
Tfus 498.28 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 543.77 J/mol×K 752.18 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-2. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-1. 2C-I. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, di-TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, di-TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, diacetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine, methylene artifact. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine, deuteromethylene artifact. N-acetyl-4-Iodo-2,5-dimethoxyphenethylamine. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-), methyl. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated. 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. Phenethylamine, 2,5-dimethoxy-4-propylthio, N-trifluoroacetyl.

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