Chemical Properties of Ephedrine (CAS 299-42-3)

Ephedrine

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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-/m1/s1
InChI Key
KWGRBVOPPLSCSI-PSASIEDQSA-N
Formula
C10H15NO
SMILES
CNC(C)C(O)c1ccccc1
Molecular Weight1
165.23
CAS
299-42-3
Other Names
  • (-)-(1R,2S)-Ephedrine
  • (-)-Ephedrine
  • (-)-erythro-Ephedrine
  • (-)-«alpha»-(1-Methylaminoethyl)benzyl alcohol
  • 1(R),2(S)-erythro-(-)-Ephedrine
  • 1-Hydroxy-2-methylamino-1-phenylpropane, (1R,2S)-
  • 1-Phenyl-2-methylaminopropanol, (1R,2S)-
  • 2-(Methylamino)-1-phenyl-1-propanol, (1R,2S)-
  • Benzenemethanol, «alpha»-((1S)-1-(methylamino)ethyl)-, («alpha»R)-
  • Benzenemethanol, «alpha»-[1-(methylamino)ethyl]-, [R-(R*,S*)]-
  • Biophedrin
  • Eciphin
  • Efedrin
  • Ephedral
  • Ephedremal
  • Ephedrin
  • Ephedrine l form
  • Ephedrine, l-(-)-
  • Ephedrital
  • Ephedrol
  • Ephedrosan
  • Ephedrotal
  • Ephedsol
  • Ephendronal
  • Ephoxamin
  • Fedrin
  • Kratedyn
  • L-Ephedrine
  • Lexofedrin
  • Manadrin
  • Mandrin
  • NSC 170951
  • NSC 8971
  • Nasol
  • Norephedrine, N-methyl-
  • Sanedrine
  • Vencipon
  • Zephrol
  • i-Sedrin
  • l-2-Methylamino-1-phenylpropanol
  • l-Erythro-2-(methylamino)-1-phenylpropan-1-ol
  • l-«alpha»-(1-Methylaminoethyl)benzyl alcohol
  • l-«alpha»-[1-(Methylamino)ethyl]benzenemethanol
  • «alpha»-Hydroxy-«beta»-methylamino propylbenzene
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 498.20 K NIST
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 17.33 kJ/mol 312.9 NIST

Molecular Descriptors

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

Similar Compounds

[R-(R*,R*)]-«alpha»-[1-(methylamino)ethyl]benzyl alcohol. Benzenemethanol, «alpha»-[1-(methylamino)ethyl]-. DL-Ephedrine. Pseudoephedrine. 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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