Chemical Properties of (+)-N-Methylephedrine (CAS 42151-56-4)

(+)-N-Methylephedrine

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InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
InChI Key
FMCGSUUBYTWNDP-UHFFFAOYSA-N
Formula
C11H17NO
SMILES
CC(C(O)c1ccccc1)N(C)C
Molecular Weight1
179.26
CAS
42151-56-4
Other Names
  • (1S,2R)-(+)-N-Methylephedrine
  • Benzenemethanol, «alpha»-[1-(dimethylamino)ethyl]-, [S-(R*,S*)]-
  • L-(+)-erythro-N-methylephedrine
Sources

Physical Properties

Property Value Unit Source
Δf 123.23 kJ/mol Joback Calculated Property
Δfgas -129.10 kJ/mol Joback Calculated Property
Δfus 18.35 kJ/mol Joback Calculated Property
Δvap 60.30 kJ/mol Joback Calculated Property
logPoct/wat 1.670 Crippen Calculated Property
Pc 2963.34 kPa Joback Calculated Property
Tboil 581.50 K Joback Calculated Property
Tc 776.75 K Joback Calculated Property
Tfus 303.44 K Joback Calculated Property
Vc 0.569 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 395.20 J/mol×K 581.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
=CH- (ring) 5
-OH (alcohol) 1
=C< (ring) 1
>N- 1
-CH3 3

Similar Compounds

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

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