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

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

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InChI
InChI=1S/C16H23ClN2O3/c1-5-21-15-8-7-12(9-13(15)17)10-14(16(20)22-6-2)18-11-19(3)4/h7-9,11,14H,5-6,10H2,1-4H3
InChI Key
JQSFWELLVBCENF-UHFFFAOYSA-N
Formula
C16H23ClN2O3
SMILES
CCOC(=O)C(Cc1ccc(OCC)c(Cl)c1)N=CN(C)C
Molecular Weight1
326.82
Other Names
  • (E)-Ethyl 3-(3-chloro-4-ethoxyphenyl)-2-([(dimethylamino)methylene]amino)propanoate
  • 2-{[(Dimethylamino)methylene]amino}-3-(3-chloro-4-ethyloxy-phenyl)propanoic acid, ethyl ester
  • (E)-Ethyl 3-(3-chloro-4-ethoxyphenyl)-2-{[(dimethylamino)methylene]amino}propanoate
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Physical Properties

Property Value Unit Source
ΔfH°gas -408.27 kJ/mol Joback Calculated Property
ΔvapH° 75.73 kJ/mol Joback Calculated Property
log10WS -3.21 Crippen Calculated Property
logPoct/wat 2.803 Crippen Calculated Property
McVol 253.750 ml/mol McGowan Calculated Property
Pc 1525.88 kPa Joback Calculated Property
Inp [2277.00; 2277.00]   Show Hide
Inp 2277.00 NIST
Inp 2277.00 NIST
Tboil 826.94 K Joback Calculated Property
Tc 1040.34 K Joback Calculated Property

Similar Compounds

2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-butyloxy-phenyl)propanoic acid, butyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester. 5,6-Dihydrouracil riboside, TMS. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Aflatoxin G1. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

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

Sources

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