4-[(7-Chloro-4-Quinolinyl)Amino]-2-[(Ethylamino)Methyl]Phenol

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Properties Simple | Detailed

Formula C18H18ClN3O
IUPAC Name 4-[(7-chloro-4-quinolyl)amino]-2-(ethylaminomethyl)phenol
Molecular Mass 327.808 g·mol−1
Heat of Formation 83.4 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 382.13 Å 3
Surface Area 351.87 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((7-chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)phenol
  • 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol
  • desethylamodiaquine
  • monodesethylamodiaquine
  • phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)-
CAS Number(s)
  • 79352-78-6
InChIKey VRXFDHAGFYWGHT-UHFFFAOYSA-N
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Elements H C N O Cl