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

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

InChI
InChI=1S/C13H17NO4/c1-8(15)11-7-13(18-3)10(6-12(11)17)4-5-14-9(2)16/h6-7,17H,4-5H2,1-3H3,(H,14,16)
InChI Key
HWZXAJVKIWFYIF-UHFFFAOYSA-N
Formula
C13H17NO4
SMILES
COc1cc(C(C)=O)c(O)cc1CCNC(C)=O
Molecular Weight1
251.28
Other Names
  • 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl)
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Physical Properties

Property Value Unit Source
ΔfusH° 37.96 kJ/mol Joback Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS -1.89 Relay (1.0) Calculated Property
logPoct/wat 1.282 Crippen Calculated Property
McVol 195.130 ml/mol McGowan Calculated Property
Inp [2320.00; 2320.00]   Show Hide
Inp 2320.00 NIST
Inp 2320.00 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 [561.59; 624.74] J/mol×K [794.63; 1014.21] Show Hide
Cp,gas 561.59 J/mol×K 794.63 Joback Calculated Property
Cp,gas 573.69 J/mol×K 831.23 Joback Calculated Property
Cp,gas 585.09 J/mol×K 867.82 Joback Calculated Property
Cp,gas 595.84 J/mol×K 904.42 Joback Calculated Property
Cp,gas 605.99 J/mol×K 941.01 Joback Calculated Property
Cp,gas 615.61 J/mol×K 977.61 Joback Calculated Property
Cp,gas 624.74 J/mol×K 1014.21 Joback Calculated Property

Similar Compounds

4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. 2-(4-Acetyl-5-acetoxy-2-methoxyphenyl)ethylamine, N-acetyl-. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (-COOH N-acetyl), methyl. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, acetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-2. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, II. 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-. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-N-acetyl-), TFA, I. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-trifluoroacetyl-. Phenethylamine, 2,5-dimethoxy-4-methylthio, N-acetyl. Phenethylamine, 2,5-dimethoxy-4-mercapto, N-acetyl. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-1. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, TFA.

Find more compounds similar to 2-(4-Acetyl-5-hydroxy-2-methoxyphenyl)ethylamine, N-acetyl-.

Sources

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