Chemical Properties of Octopamine (CAS 104-14-3)

Octopamine

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InChI
InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
InChI Key
QHGUCRYDKWKLMG-UHFFFAOYSA-N
Formula
C8H11NO2
SMILES
NCC(O)c1ccc(O)cc1
Molecular Weight1
153.18
CAS
104-14-3
Other Names
  • (.+/-.)-Octopamine
  • (.+/-.)-«alpha»-(Aminomethyl)-p-hydroxybenzyl alcohol
  • 1-(p-Hydroxyphenyl)-2-aminoethanol
  • Analet
  • Benzenemethanol, «alpha»-(aminomethyl)-4-hydroxy-
  • Benzyl alcohol, «alpha»-(aminomethyl)-p-hydroxy-
  • ND 50
  • Norden
  • Norphen
  • Norsympathol
  • Norsympatol
  • Norsynephrine
  • Paraoxyphenyl aminoethanol
  • WIN 5512
  • dl-Octopamine
  • p-Hydroxyphenylethanolamine
  • «alpha»-(Aminomethyl)-p-hydroxybenzyl alcohol
Sources

Physical Properties

Property Value Unit Source
Δf -98.54 kJ/mol Joback Calculated Property
Δfgas -272.95 kJ/mol Joback Calculated Property
Δfus 22.06 kJ/mol Joback Calculated Property
Δvap 75.62 kJ/mol Joback Calculated Property
logPoct/wat 0.38 Crippen Calculated Property
Pc 5495.11 kPa Joback Calculated Property
Tboil 654.01 K Joback Calculated Property
Tc 875.02 K Joback Calculated Property
Tfus 447.14 K Joback Calculated Property
Vc 0.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 320.15 J/mol×K 654.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 4
-OH (alcohol) 1
-NH2 1
=C< (ring) 2
-CH2- 1
-OH (phenol) 1

Similar Compounds

4-hydroxy-«alpha»-methylbenzyl alcohol. Propanol, 2-amino-1-(4-hydroxyphenyl)-, hydrochloride. Bamethan. Phenylethanolamine. Benzenemethanol, 4-hydroxy-«alpha»-[1-(methylamino)ethyl]-, (R*,S*)-. Dl-noradrenaline. 4-Methoxyphenyl methyl carbinol. Benzyl alcohol, alpha-(aminomethyl)-m-hydroxy-. Phenol, 4-(2-aminoethyl)-. Tyramine methiodide. L-adrenaline. Phenol, 4-[2-(methylamino)ethyl]-. Phenylephrine. Benzenemethanol, .alpha.-ethyl-4-methoxy-. (.+/-.)-Octopamine, N,N,O,O'-tetramethyl-.

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