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

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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
298.76
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
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Physical Properties

Property Value Unit Source
ΔfH°gas -366.99 kJ/mol Joback Calculated Property
ΔvapH° 71.28 kJ/mol Joback Calculated Property
log10WS -2.38 Crippen Calculated Property
logPoct/wat 2.023 Crippen Calculated Property
McVol 225.570 ml/mol McGowan Calculated Property
Pc 1783.35 kPa Joback Calculated Property
Inp [2187.00; 2187.00]   Show Hide
Inp 2187.00 NIST
Inp 2187.00 NIST
Tboil 781.18 K Joback Calculated Property
Tc 998.64 K Joback Calculated Property

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, # 1. 5,6-Dihydrouracil riboside, TMS. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Quinapril desethyl 3Me (Quinaprilate 3Me). 7-diacetylintermedine. 3'-Acetylheliosupine. xanthosine, TMS. acetylintermedine.

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

Sources

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