Chemical Properties of BACLOFEN

BACLOFEN

InChI
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChI Key
KPYSYYIEGFHWSV-UHFFFAOYSA-N
Formula
C10H12ClNO2
SMILES
NCC(CC(=O)O)c1ccc(Cl)cc1
Molecular Weight1
213.66
Other Names
  • (.+/-.)-Baclofen
  • (.+/-.)-Baklofen
  • 4-Amino-3-(4-chlorophenyl)butyric acid
  • 4-Amino-3-(p-chlorophenyl)butyric acid
  • Ba 34647
  • Baclon
  • Benzenepropanoic acid, «beta»-(aminomethyl)-4-chloro-
  • Butanoic acid, 4-amino-3-(4-chlorophenyl)-
  • C 34647Ba
  • CIBA 34,647-Ba
  • DL-4-Amino-3-p-chlorophenylbutanoic acid
  • DL-Baclofen
  • Hydrocinnamic acid, «beta»-(aminomethyl)-p-chloro-
  • Lioresal
  • «beta»-(4-Chlorophenyl)gaba
  • «beta»-(Aminomethyl)-4-chlorobenzenepropanoic acid
  • «beta»-(Aminomethyl)-p-chlorohydrocinnamic acid
  • «beta»-(p-Chlorophenyl)-«gamma»-aminobutyric acid
  • «gamma»-Amino-«beta»-(p-chlorophenyl)butyric acid
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Physical Properties

Property Value Unit Source
ΔfusH° 26.87 kJ/mol Joback Calculated Property
log10WS [-1.78; -1.70]   Show Hide
log10WS -1.78 Aq. Solubility Prediction
log10WS -1.70 Rytting (2005)
logPoct/wat 1.857 Crippen Calculated Property
McVol 157.660 ml/mol McGowan Calculated Property
Inp [2018.10; 2018.10]   Show Hide
Inp 2018.10 NIST
Inp 2018.10 NIST
Tfus 480.48 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [404.48; 454.51] J/mol×K [715.43; 931.06] Show Hide
Cp,gas 404.48 J/mol×K 715.43 Joback Calculated Property
Cp,gas 414.47 J/mol×K 751.37 Joback Calculated Property
Cp,gas 423.74 J/mol×K 787.31 Joback Calculated Property
Cp,gas 432.35 J/mol×K 823.24 Joback Calculated Property
Cp,gas 440.32 J/mol×K 859.18 Joback Calculated Property
Cp,gas 447.70 J/mol×K 895.12 Joback Calculated Property
Cp,gas 454.51 J/mol×K 931.06 Joback Calculated Property

Similar Compounds

(.+/-.)-Baclofen, trimethylsilyl ester. (.+/-.)-Baclofen, N-dimethylaminomethylene-, ethyl ester. (.+/-.)-Baclofen, N-dimethylaminomethylene-, methyl ester. (.+/-.)-Baclofen, N-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester. Venlafaxine AC. Venlafaxine-M (O-desmethyl-) 2AC. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(exo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(endo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Benzo[b]-7-oxa-bicyclo[2,2,2]oct-2-en-5(endo),6(exo)-dicarboxylic acid, 4-methyl-1-phenyl, dimethyl ester. Nadolol tri-TMS derivative. Hexaconazole. 2-(2,4-Dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol, trimethylsilyl ether. 5'-O-(tert-butyldimethylsilyl)-thymidine. Thymidine, 3'-O-TBDMS, 5'-O-TMS.

Find more compounds similar to BACLOFEN.

Sources

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