Chemical Properties of 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated

4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated

InChI
InChI=1S/C13H16INO4/c1-8(16)15-5-4-10-6-13(19-9(2)17)11(14)7-12(10)18-3/h6-7H,4-5H2,1-3H3,(H,15,16)
InChI Key
XWGSBNZEABPUNF-UHFFFAOYSA-N
Formula
C13H16INO4
SMILES
COc1cc(I)c(OC(C)=O)cc1CCNC(C)=O
Molecular Weight1
377.18
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Physical Properties

Property Value Unit Source
ΔfusH° 38.96 kJ/mol Joback Calculated Property
IE 7.79 eV Relay (1.0) Calculated Property
log10WS -3.08 Relay (1.0) Calculated Property
logPoct/wat 1.904 Crippen Calculated Property
McVol 220.950 ml/mol McGowan Calculated Property
Inp 2500.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [578.50; 631.70] J/mol×K [816.48; 1045.62] Show Hide
Cp,gas 578.50 J/mol×K 816.48 Joback Calculated Property
Cp,gas 589.95 J/mol×K 854.67 Joback Calculated Property
Cp,gas 600.36 J/mol×K 892.86 Joback Calculated Property
Cp,gas 609.73 J/mol×K 931.05 Joback Calculated Property
Cp,gas 618.08 J/mol×K 969.24 Joback Calculated Property
Cp,gas 625.40 J/mol×K 1007.43 Joback Calculated Property
Cp,gas 631.70 J/mol×K 1045.62 Joback Calculated Property

Similar Compounds

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, di-TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine, TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-2. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated. 2-(2-Acetoxy-5-methoxy-4-ethylphenyl)ethylamine, N-acetyl-. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, di-TFA. 2-(4-Acetyl-5-acetoxy-2-methoxyphenyl)ethylamine, N-acetyl-. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-1. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 2, 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 1, acetylated. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-N-acetyl-), isomer 1, propionylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA.

Find more compounds similar to 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated.

Sources

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