Chemical Properties of Metaxalone (CAS 1665-48-1)

Metaxalone

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InChI
InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChI Key
IMWZZHHPURKASS-UHFFFAOYSA-N
Formula
C12H15NO3
SMILES
Cc1cc(C)cc(OCC2CN=C(O)O2)c1
Molecular Weight1
221.25
CAS
1665-48-1
Other Names
  • 2-Oxazolidinone, 5-((3,5-xylyloxy)methyl)-
  • 2-Oxazolidinone, 5-[(3,5-dimethylphenoxy)methyl]-
  • 5-((3,5-Dimethylphenoxy)methyl)-2-oxazolidinone
  • 5-((3,5-Xylyloxy)methyl)-2-oxazolidinone
  • 5-(3,5-Xyloloxymethyl)oxazolidin-2-one
  • AHR-438
  • CL 39,148
  • Metaxalon
  • Metaxolone
  • Metazalone
  • Metazolone
  • Methaxalonum
  • Methoxolone
  • NSC 170959
  • Skelaxin
  • Zorane
Sources

Physical Properties

Property Value Unit Source
Δf -10.97 kJ/mol Joback Calculated Property
Δfgas -316.11 kJ/mol Joback Calculated Property
Δfus 33.26 kJ/mol Joback Calculated Property
Δvap 76.93 kJ/mol Joback Calculated Property
logPoct/wat 2.00 Crippen Calculated Property
Pc 3082.99 kPa Joback Calculated Property
Tboil 725.27 K Joback Calculated Property
Tc 945.06 K Joback Calculated Property
Tfus 481.80 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 493.87 J/mol×K 725.27 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 4
-CH2- 1
-N= (ring) 1
-CH3 2
>CH- (ring) 1
-CH2- (ring) 1

Similar Compounds

Metaxalone, trimethylsilyl ether. Toliprolol. MEXILETINE, M (DESAMINO-DI-HO-) ISOMER 3, AC. MEXILETINE, M(DESAMINO-DI-HO) ISOMER 2, AC. Toliprolol desamino hydroxy, acetylated. Metipranolol, desamino hydroxy, acetylated. Acetoxyacetic acid, 3,5-dimethylphenyl ester. MEXILETINE, M (DESAMINO-HO-), AC. 2-Methylpropionic acid, 3,5-dimethylphenyl ester. Butyric acid, 3,5-dimethylphenyl ester. Toliprolol desamino dihydroxy, acetylated. Metipranolol, desacetyl, acetylated. Cyclopropanecarboxylic acid, 3,5-dimethylphenyl ester. 4-Bromobutyric acid, 3,5-dimethylphenyl ester. 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester.

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