Ethyl (2Z)-3-{[3-Chloro-2-Hydroxy-5-(2-Methyl-2-Propanyl)Benzyl]Amino}-2-Butenoate

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Properties Simple | Detailed

Formula C17H24ClNO3
IUPAC Name ethyl (z)-3-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)methylamino]but-2-enoate
Molecular Mass 325.830 g·mol−1
Heat of Formation -644.9 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 401.53 Å 3
Surface Area 335.37 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-[(5-tert-butyl-3-chloro-2-hydroxy-benzyl)amino]but-2-enoic acid ethyl ester
  • (z)-3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylamino]but-2-enoic acid ethyl ester
  • 2-butenoic acid, 3-(((3-chloro-5-(1,1-dimethylethyl)-2-hydroxyphenyl)methyl)amino)-, ethyl ester
  • ethyl (z)-3-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)methylamino]but-2-enoate
  • ethyl (z)-3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylamino]but-2-enoate
  • ethyl-beta((5-tert-butyl-3-chloro-2-hydroxy)benzylamino)crotonate
  • ita 529
  • ita-529
CAS Number(s)
  • 80626-07-9
InChIKey ZQJKBWZJMODFPB-XFFZJAGNSA-N
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Elements H C N O Cl