Chemical Properties of Benzeneethanamine,3,4,5-trimethoxy-N-methyl- (CAS 4838-96-4)

Benzeneethanamine,3,4,5-trimethoxy-N-methyl-

InChI
InChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3
InChI Key
OTXANOLOOUNVSR-UHFFFAOYSA-N
Formula
C12H19NO3
SMILES
CNCCc1cc(OC)c(OC)c(OC)c1
Molecular Weight1
225.28
CAS
4838-96-4
Other Names
  • Benzenethanamine,3,4,5-trimethoxy-N-methyl-
  • Mescaline, N-methyl-
  • N-Methylmescaline
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Physical Properties

Property Value Unit Source
ΔfusH° 28.37 kJ/mol Joback Calculated Property
IE 7.77 eV Relay (1.0) Calculated Property
log10WS -1.02 Relay (1.0) Calculated Property
logPoct/wat 1.474 Crippen Calculated Property
McVol 183.770 ml/mol McGowan Calculated Property
Inp 1700.00 NIST
Tboil 581.71 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [477.50; 557.06] J/mol×K [633.01; 831.08] Show Hide
Cp,gas 477.50 J/mol×K 633.01 Joback Calculated Property
Cp,gas 492.54 J/mol×K 666.02 Joback Calculated Property
Cp,gas 506.89 J/mol×K 699.03 Joback Calculated Property
Cp,gas 520.53 J/mol×K 732.04 Joback Calculated Property
Cp,gas 533.45 J/mol×K 765.05 Joback Calculated Property
Cp,gas 545.63 J/mol×K 798.07 Joback Calculated Property
Cp,gas 557.06 J/mol×K 831.08 Joback Calculated Property

Similar Compounds

Mescaline. Benzeneethanamine, 3,4,5-trimethoxy-. Homarylamine. Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-. Dopamine, n,n-dimethyl-, dimethyl ether. BENZENETHANAMINE, N-TFA-3,4-DIMETHOXY-. Benzeneethanamine, 3,4-dimethoxy-. 3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-. 4-(2-AMINOETHYL)-2-METHOXYPHENOL. 4-Ethoxy-3-methoxyphenethylamine. 3-Ethoxy-4-methoxyphenethylamine. 3,5-Dimethoxyphenethylamine. N-methyl-3,4-methylenedioxyamphetamine. Benzenethanamine, 3,4,5-trimethoxy-«alpha»-methyl-(.+/-.)-. Phenethylamine, 3,4,5-trimethoxy-«alpha»-methyl-.

Find more compounds similar to Benzeneethanamine,3,4,5-trimethoxy-N-methyl-.

Sources

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