Chemical Properties of Pseudoephedrine (CAS 90-82-4)

Pseudoephedrine

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InChI
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
InChI Key
KWGRBVOPPLSCSI-WPRPVWTQSA-N
Formula
C10H15NO
SMILES
CNC(C)C(O)c1ccccc1
Molecular Weight1
165.23
CAS
90-82-4
Other Names
  • (+) threo-2-(methylamino)-1-phenyl-1-propanol (pseudoephedrine)
  • (+)-(1S,2S)-Pseudoephedrine
  • (+)-Pseudoephedrine
  • (+)-threo-Ephedrine
  • (1S,2S)-(+)-Pseudoephedrine
  • (1S,2S)-Pseudoephedrine
  • Benzenemethanol, «alpha»-[1-(methylamino)ethyl]-, [S-(R*,R*)]-
  • Besan
  • D-isoephedrine
  • D-pseudoephedrine
  • D-«psi»-Ephedrine
  • Isoephedrine
  • L(+)-«psi»-Ephedrine
  • L-(+)-Pseudoephedrine
  • Pseudoephedrine d-form
  • Pseudoephedrine, (+)-
  • Pseudoephedrine, L-(+)-
  • Sudafed
  • [S-(R*,R*)]-«alpha»-[1-(methylamino)ethyl]benzenemethanol
  • d-psi-2-Methylamino-1-phenyl-1-propanol
  • d-psi-Ephedrine
  • psi-Ephedrine
  • trans-Ephedrine
  • «alpha»-((1S)-1-(Methylamino)ethyl)benzyl alcohol, («alpha»S)-
  • «alpha»-[(1S)-1-(Methylamino)ethyl]benzenemethanol, («alpha»S)-
  • «psi»-Ephedrin
  • «psi»-Ephedrine
  • «psi»-Ephedrine, (+)-
Sources

Physical Properties

Property Value Unit Source
Δf 93.42 kJ/mol Joback Calculated Property
Δfgas -122.52 kJ/mol Joback Calculated Property
Δfus 17.84 kJ/mol Joback Calculated Property
Δvap 62.47 kJ/mol Joback Calculated Property
logPoct/wat 1.328 Crippen Calculated Property
Pc 3356.75 kPa Joback Calculated Property
Tboil 596.35 K Joback Calculated Property
Tc 797.42 K Joback Calculated Property
Tfus 312.36 K Joback Calculated Property
Vc 0.529 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 361.03 J/mol×K 596.35 Joback Calculated Property
ΔfusH 31.95 kJ/mol 392.4 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 2
=CH- (ring) 5
-OH (alcohol) 1
=C< (ring) 1
>NH 1
-CH3 2

Similar Compounds

Ephedrine. [R-(R*,R*)]-«alpha»-[1-(methylamino)ethyl]benzyl alcohol. Benzenemethanol, «alpha»-[1-(methylamino)ethyl]-. DL-Ephedrine. 2-Ethylamino-1-phenylpropanol. (+)-N-Methylephedrine. Methylephedrine. Benzenemethanol, «alpha»-(1-aminoethyl)-. Phenyl propanolamine hydrochloride. Norephedrine, (.+/-.)-. (1S,2R)-(+)-Norephedrine. (-)-Norephedrine. Cathine. Benzenemethanol, 4-hydroxy-«alpha»-[1-(methylamino)ethyl]-, (R*,S*)-. Benzenemethanol, «alpha»-[1-(ethylmethylamino)ethyl]-, [R-(R*,S*)]-.

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