Chemical Properties of 2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester

2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester

InChI
InChI=1S/C11H14ClNO3/c1-15-10-4-3-7(5-8(10)12)6-9(13)11(14)16-2/h3-5,9H,6,13H2,1-2H3
InChI Key
QUBSTZJVDZUTFR-UHFFFAOYSA-N
Formula
C11H14ClNO3
SMILES
COC(=O)C(N)Cc1ccc(OC)c(Cl)c1
Molecular Weight1
243.69
Other Names
  • Methyl 2-amino-3-(3-chloro-4-methoxyphenyl)propanoate
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Physical Properties

Property Value Unit Source
ΔfusH° 28.94 kJ/mol Joback Calculated Property
IE 8.19 eV Relay (1.0) Calculated Property
log10WS -2.62 Relay (1.0) Calculated Property
logPoct/wat 1.391 Crippen Calculated Property
McVol 177.620 ml/mol McGowan Calculated Property
Inp [1900.00; 1900.00]   Show Hide
Inp 1900.00 NIST
Inp 1900.00 NIST
Tfus 371.39 K Relay (1.0) Calculated Property

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 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 [451.54; 515.34] J/mol×K [678.08; 900.02] Show Hide
Cp,gas 451.54 J/mol×K 678.08 Joback Calculated Property
Cp,gas 464.40 J/mol×K 715.07 Joback Calculated Property
Cp,gas 476.38 J/mol×K 752.06 Joback Calculated Property
Cp,gas 487.45 J/mol×K 789.05 Joback Calculated Property
Cp,gas 497.64 J/mol×K 826.04 Joback Calculated Property
Cp,gas 506.94 J/mol×K 863.03 Joback Calculated Property
Cp,gas 515.34 J/mol×K 900.02 Joback Calculated Property

Similar Compounds

2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-ethyloxy-phenyl)propanoic acid, ethyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-butyloxy-phenyl)propanoic acid, butyl ester. Trimethylsilyl 2-amino-3-(3-chloro-4-[(trimethylsilyl)oxy]phenyl)propanoate. Propanoic acid, 2-dimethylamino-3-(4-methoxyphenyl), methyl ester. (3-Chloro-4-benzyloxy-phenyl)-propionic acid, methyl ester. L-Phenylalanine, N-(m-anisoyl)-, methyl ester. L-Phenylalanine, N-(o-anisoyl)-, methyl ester. l-Tyrosine, N,O-bis(butyryl)-, methyl ester. L-phenylalanine, n-(p-anisoyl)-, methyl ester. L-Tyrosine, N,O-bis(2-thienylcarbonyl)-, methyl ester. L-Tyrosine, N,O-bis(pivaloyl)-, methyl ester. tyrosine, trifluoroacetyl-isopropyl ester. L-Tyrosine, N,O-bis(2,6-difluorobenzoyl)-, methyl ester. l-Phenylalanine, N-pivaloyl-, methyl ester.

Find more compounds similar to 2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester.

Sources

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