Chemical Properties of 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-1

4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-1

InChI
InChI=1S/C11H14INO3/c1-7(14)13-4-3-8-5-11(16-2)9(12)6-10(8)15/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChI Key
GFHKOXWFPBTTAI-UHFFFAOYSA-N
Formula
C11H14INO3
SMILES
COc1cc(CCNC(C)=O)c(O)cc1I
Molecular Weight1
335.14
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Physical Properties

Property Value Unit Source
ΔfusH° 35.58 kJ/mol Joback Calculated Property
IE 7.87 eV Relay (1.0) Calculated Property
log10WS -2.46 Relay (1.0) Calculated Property
logPoct/wat 1.684 Crippen Calculated Property
McVol 191.200 ml/mol McGowan Calculated Property
Inp 2370.00 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 [486.21; 544.71] J/mol×K [787.94; 1030.10] Show Hide
Cp,gas 486.21 J/mol×K 787.94 Joback Calculated Property
Cp,gas 497.26 J/mol×K 828.30 Joback Calculated Property
Cp,gas 507.67 J/mol×K 868.66 Joback Calculated Property
Cp,gas 517.54 J/mol×K 909.02 Joback Calculated Property
Cp,gas 526.95 J/mol×K 949.38 Joback Calculated Property
Cp,gas 535.98 J/mol×K 989.74 Joback Calculated Property
Cp,gas 544.71 J/mol×K 1030.10 Joback Calculated Property

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-), isomer 1, diacetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine, TFA. 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, di-TFA. 2-(4-Acetyl-5-hydroxy-2-methoxyphenyl)ethylamine, N-acetyl-. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, di-TFA. Phenethylamine, 2,5-dimethoxy-4-mercapto, N-acetyl. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, acetylated. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-. Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-methylthio, sulfoxide, N-acetyl. 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. 2C-I.

Find more compounds similar to 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-1.

Sources

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