Chemical Properties of Benzeneethanamine, 3,4-dimethoxy- (CAS 120-20-7)

Benzeneethanamine, 3,4-dimethoxy-

InChI
InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
InChI Key
ANOUKFYBOAKOIR-UHFFFAOYSA-N
Formula
C10H15NO2
SMILES
COc1ccc(CCN)cc1OC
Molecular Weight1
181.23
CAS
120-20-7
Other Names
  • 2-(3,4-Dimethoxyphenyl)ethylamine
  • 3,4-Di-O-methyldopamine
  • 3,4-Dimethoxy-«beta»-phenethylamine
  • 3,4-Dimethoxy-«beta»-phenylethylamine
  • 3,4-Dimethoxybenzeneethanamine
  • 3,4-Dimethoxypheneethylamine
  • 3,4-Dimethoxyphenethylamine
  • 3,4-Dimethoxyphenylethylamine
  • 3,4-Dimethoxyphenylethylamine(base)
  • Benzenethanamine, 3,4-dimethoxy-
  • DIMPEA
  • DMPE
  • DMPEA
  • Dimethoxydopamine
  • Dimethoxyphenylethylamine
  • Dimethylmescaline
  • Dopamine dimethyl ether
  • Homoveratrylamine
  • NSC 16948
  • O,O-Dimethyldopamine
  • Phenethylamine, 3,4-dimethoxy-
  • «beta»-(3,4-Dimethoxyphenyl)ethylamine
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Physical Properties

Property Value Unit Source
ΔfusH° 22.49 kJ/mol Joback Calculated Property
ΔvapH° 77.95 kJ/mol Relay (1.0) Calculated Property
IE [7.40; 8.03] eV Show Hide
IE 7.40 eV NIST
IE 8.03 eV NIST
IE 8.03 ± 0.16 eV NIST
log10WS -1.41 Relay (1.0) Calculated Property
logPoct/wat 1.205 Crippen Calculated Property
McVol 149.720 ml/mol McGowan Calculated Property
Inp 1551.00 NIST
Tboil 559.44 K Relay (1.0) Calculated Property
Tfus 284.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [460.50; 461.20] K [2.00; 2.00] Show Hide
Tboilr 461.20 K 2.00 NIST
Tboilr 460.50 ± 0.50 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [216.65; 483.60] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.59820e+01
Coefficient B6.91440e-01
Coefficient C-2.38720e-04
Coefficient D-1.51000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 216.65 J/mol×K 273.00 Calculated Property
Cp,gas 260.05 J/mol×K 353.78 Calculated Property
Cp,gas 300.13 J/mol×K 434.56 Calculated Property
Cp,gas 336.84 J/mol×K 515.33 Calculated Property
Cp,gas 370.13 J/mol×K 596.11 Calculated Property
Cp,gas 399.95 J/mol×K 676.89 Calculated Property
Cp,gas 426.26 J/mol×K 757.67 Calculated Property
Cp,gas 449.00 J/mol×K 838.44 Calculated Property
Cp,gas 468.13 J/mol×K 919.22 Calculated Property
Cp,gas 483.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-(2-AMINOETHYL)-2-METHOXYPHENOL. 4-Ethoxy-3-methoxyphenethylamine. 3-Ethoxy-4-methoxyphenethylamine. Benzeneethanamine, 3,4,5-trimethoxy-. Mescaline. 3,4-Dimethoxyphenethyl isothiocyanate. 3-METHOXYPHENETHYLAMINE. Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-. BENZENETHANAMINE, N-TFA-3,4-DIMETHOXY-. Dopamine, n,n-dimethyl-, dimethyl ether. Homarylamine. Dopamine. BENZENE, 4-ETHYL-1,2-DIMETHOXY-. 3,4-Dimethoxyphenylthylamine, N-trimethylsilyl-. Benzenethanamine, 3,4-dimethoxy-«alpha»-methyl-.

Find more compounds similar to Benzeneethanamine, 3,4-dimethoxy-.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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