Chemical Properties of BENZENETHANAMINE, N-TFA-3,4-DIMETHOXY-

BENZENETHANAMINE, N-TFA-3,4-DIMETHOXY-

InChI
InChI=1S/C12H14F3NO3/c1-18-9-4-3-8(7-10(9)19-2)5-6-16-11(17)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChI Key
RIULCRYOMGKNSV-UHFFFAOYSA-N
Formula
C12H14F3NO3
SMILES
COc1ccc(CCNC(=O)C(F)(F)F)cc1OC
Molecular Weight1
277.24
Other Names
  • Benzenethanamine, N-trifluoroacetyl-3,4-dimethoxy-
  • Benzenethanamine, N-TFA-4,5-dimethoxy-
  • Benzeneethanamine, 3,4-dimethoxy-N-TFA-
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Physical Properties

Property Value Unit Source
ΔfusH° 31.00 kJ/mol Joback Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
logPoct/wat 1.925 Crippen Calculated Property
McVol 184.780 ml/mol McGowan Calculated Property
Inp [1725.00; 1725.00]   Show Hide
Inp 1725.00 NIST
Inp 1725.00 NIST
Tboil 570.34 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, Log10 of Water solubility in mol/l 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 [497.76; 563.93] J/mol×K [654.06; 845.49] Show Hide
Cp,gas 497.76 J/mol×K 654.06 Joback Calculated Property
Cp,gas 510.63 J/mol×K 685.97 Joback Calculated Property
Cp,gas 522.75 J/mol×K 717.87 Joback Calculated Property
Cp,gas 534.12 J/mol×K 749.78 Joback Calculated Property
Cp,gas 544.76 J/mol×K 781.68 Joback Calculated Property
Cp,gas 554.69 J/mol×K 813.59 Joback Calculated Property
Cp,gas 563.93 J/mol×K 845.49 Joback Calculated Property

Similar Compounds

3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-. Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-. 3-Hydroxytyramine, N,O,O'-tris(trifluoroacetyl)-. Dopamine, N-acetyl-TFA. Propanoic acid, pentafluoro-, 4-[2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]-1,2-phenylene ester. Benzeneethanamine, 3,4-dimethoxy-. Dopamine, N-acetyl-PFP. 3,4-Dimethoxyphenylethylamine, N,N-di(acetyl)-. N-(Trifluoroacetyl)-O,O'-bis(trimethylsilyl) dopamine. Homarylamine. 4-(2-AMINOETHYL)-2-METHOXYPHENOL. Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester. 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-trifluoroacetyl-. 4-Ethoxy-3-methoxyphenethylamine. 3-Ethoxy-4-methoxyphenethylamine.

Find more compounds similar to BENZENETHANAMINE, N-TFA-3,4-DIMETHOXY-.

Sources

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