Chemical Properties of 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester

2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester

InChI
InChI=1S/C14H19ClN2O3/c1-17(2)9-16-12(14(18)20-4)8-10-5-6-13(19-3)11(15)7-10/h5-7,9,12H,8H2,1-4H3
InChI Key
RBQRRGQZLMOMPC-UHFFFAOYSA-N
Formula
C14H19ClN2O3
SMILES
COC(=O)C(Cc1ccc(OC)c(Cl)c1)N=CN(C)C
Molecular Weight1
298.77
Other Names
  • (E)-Methyl 3-(3-chloro-4-methoxyphenyl)-2-([(dimethylamino)methylene]amino)propanoate
  • 2-{[(Dimethylamino)methylene]amino}-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester
  • (E)-Methyl 3-(3-chloro-4-methoxyphenyl)-2-{[(dimethylamino)methylene]amino}propanoate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS -2.91 Relay (1.0) Calculated Property
logPoct/wat 2.023 Crippen Calculated Property
McVol 225.570 ml/mol McGowan Calculated Property
Inp [2187.00; 2187.00]   Show Hide
Inp 2187.00 NIST
Inp 2187.00 NIST
Tfus 337.11 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, 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.

Similar Compounds

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. 2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester. L-Tyrosine, N,O-bis(pivaloyl)-, methyl ester. Carteolol hydroxy, acetylated. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. p-Fluoro-L-phenylalanine, N-dimethylaminomethylene-, methyl ester. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Cialis. 5,6-Dihydrouracil riboside, TMS. 3'-Acetylheliosupine. 7-diacetylintermedine. Quinapril desethyl 3Me (Quinaprilate 3Me). xanthosine, TMS.

Find more compounds similar to 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.