Gabexate

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Properties Simple | Detailed

Formula C16H23N3O4
IUPAC Name ethyl 4-(6-guanidinohexanoyloxy)benzoate
Molecular Mass 321.372 g·mol−1
Heat of Formation -646.7 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 396.07 Å 3
Surface Area 379.39 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(6-guanidino-1-oxohexoxy)benzoic acid ethyl ester
  • 4-(6-guanidinohexanoyloxy)benzoic acid ethyl ester
  • benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester
  • bpbio1_001249
  • ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate
  • ethyl p-hydroxybenzoate 6-guanidinohexanoate
  • tocris-1798
InChIKey YKGYIDJEEQRWQH-UHFFFAOYSA-N
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