Chemical Properties of Benzeneethanamine, 3,4,5-trimethoxy- (CAS 54-04-6)

Benzeneethanamine, 3,4,5-trimethoxy-

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InChI
InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
InChI Key
RHCSKNNOAZULRK-UHFFFAOYSA-N
Formula
C11H17NO3
SMILES
COc1cc(CCN)cc(OC)c1OC
Molecular Weight1
211.26
CAS
54-04-6
Other Names
  • 2-(3,4,5-Trimethoxyphenyl)ethylamine
  • 3,4,5-Trimethoxybenzeneethanamine
  • 3,4,5-Trimethoxyphenethylamine
  • 3,4,5-Trimethoxyphenylethylamine
  • Ethane, 1-amino-2-(3,4,5-trimethoxyphenyl)-
  • Mescalin
  • Mescaline
  • Mescline
  • Mezcalin
  • Mezcaline
  • Mezcline
  • NSC 30419
  • Phenethylamine, 3,4,5-trimethoxy-
  • TMPEA
Sources

Physical Properties

Property Value Unit Source
Δf -123.29 kJ/mol Joback Calculated Property
Δfgas -431.12 kJ/mol Joback Calculated Property
Δfus 25.88 kJ/mol Joback Calculated Property
Δvap 62.21 kJ/mol Joback Calculated Property
IE 8.18 ± 0.24 eV NIST
logPoct/wat 1.21 Crippen Calculated Property
Pc 2545.61 kPa Joback Calculated Property
Tboil 453.20 K NIST
Tc 840.81 K Joback Calculated Property
Tfus 427.66 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 437.68 J/mol×K 632.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
=CH- (ring) 2
-NH2 1
=C< (ring) 4
-CH2- 2
-CH3 3

Similar Compounds

Benzenethanamine,3,4,5-trimethoxy-N-methyl-. Ethylamine sulfate, 3,4,5-trimethoxyphen-, dihydrate. Phenethylamine, 3,4,5-trimethoxy-«alpha»-methyl-. Benzenethanamine, 3,4,5-trimethoxy-«alpha»-methyl-(.+/-.)-. Benzeneethanamine, 3,4-dimethoxy-. Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-. Phenol, 4-ethyl-2,6-dimethoxy. 1,2,6-trimethoxy-4-propylbenzene. 4-(2-AMINOETHYL)-2-METHOXYPHENOL. Dopamine, n,n-dimethyl-, dimethyl ether. 4-Ethoxy-3-methoxyphenethylamine. 3,4-Dimethoxyphenylethylamine, N-acetyl-. Phenol, 2,6-dimethoxy-4-(2-propenyl)-. 3,4-Dimethoxyphenethyl isothiocyanate. 1-Propanol, 3-(3,4,5-trimethoxyphenyl).

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