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

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

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InChI
InChI=1S/C20H31ClN2O3/c1-5-7-11-25-19-10-9-16(13-17(19)21)14-18(22-15-23(3)4)20(24)26-12-8-6-2/h9-10,13,15,18H,5-8,11-12,14H2,1-4H3
InChI Key
AGTXJKSRRMGRQS-UHFFFAOYSA-N
Formula
C20H31ClN2O3
SMILES
CCCCOC(=O)C(Cc1ccc(OCCCC)c(Cl)c1)N=CN(C)C
Molecular Weight1
382.93
Other Names
  • (E)-Butyl 3-(4-butoxy-3-chlorophenyl)-2-([(dimethylamino)methylene]amino)propanoate
  • 2-{[(Dimethylamino)methylene]amino}-3-(3-chloro-4-butyloxy-phenyl)propanoic acid, butyl ester
  • (E)-Butyl 3-(4-butoxy-3-chlorophenyl)-2-{[(dimethylamino)methylene]amino}propanoate
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Physical Properties

Property Value Unit Source
ΔfH°gas -490.83 kJ/mol Joback Calculated Property
ΔvapH° 84.63 kJ/mol Joback Calculated Property
log10WS -4.89 Crippen Calculated Property
logPoct/wat 4.363 Crippen Calculated Property
McVol 310.110 ml/mol McGowan Calculated Property
Pc 1153.78 kPa Joback Calculated Property
Inp 2645.00 NIST
Tboil 918.46 K Joback Calculated Property
Tc 1131.74 K Joback Calculated Property

Similar Compounds

2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-ethyloxy-phenyl)propanoic acid, ethyl 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. Nalmefene, trimethylsilyl ether. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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-butyloxy-phenyl)propanoic acid, butyl ester.

Sources

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