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

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
• d-N-methylephedrine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.20; 469.51]	J/mol×K	[581.50; 776.75]
Cp,gas	395.20	J/mol×K	581.50	Joback Calculated Property
Cp,gas	409.59	J/mol×K	614.04	Joback Calculated Property
Cp,gas	423.12	J/mol×K	646.58	Joback Calculated Property
Cp,gas	435.84	J/mol×K	679.12	Joback Calculated Property
Cp,gas	447.78	J/mol×K	711.67	Joback Calculated Property
Cp,gas	458.99	J/mol×K	744.21	Joback Calculated Property
Cp,gas	469.51	J/mol×K	776.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-N-Methylephedrine.

Mixtures

• methyl (S)-(-)-lactate + (+)-N-Methylephedrine + Methylephedrine

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid-Liquid Equilibria of N-Methylephedrine Enantiomers and Their Mixtures in Two Chiral Ionic Liquids
• Solid-Liquid Equilibria of N-Methylephedrine Enantiomers and Their Mixtures in Three Chiral Solvents Distinguished by Chain Length
• Joback Method
• McGowan Method
• NIST Webbook

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