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
298.76
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
ω 0.6975 Relay (1.0) Calculated Property
ΔfG° -12.22 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -406.46 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 93.11 kJ/mol Relay (1.0) Calculated Property
IE 7.39 eV Relay (1.0) Calculated Property
log10WS -2.91 Relay (1.0) 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 605.17 K Relay (1.0) Calculated Property
Tc 842.62 K Relay (1.0) Calculated Property
Tfus 348.83 K Relay (1.0) Calculated Property
Vc 0.799 m3/kmol Relay (1.0) 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. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. 5,6-Dihydrouracil riboside, TMS. Quinapril desethyl 3Me (Quinaprilate 3Me). xanthosine, TMS. 7-diacetylintermedine. 3'-Acetylheliosupine. Aflatoxin G1.

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

Sources

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