10-(β-Aminopropionyl)-2-Trifluoromethylphenothiazine

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Properties Simple | Detailed

Formula C16H13F3N2OS
IUPAC Name 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
Molecular Mass 338.347 g·mol−1
Heat of Formation -615.2 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 358.38 Å 3
Surface Area 305.48 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 10h-phenothiazine, 10-(3-amino-1-oxopropyl)-2-(trifluoromethyl)-
  • 3-amino-1-(2-trifluoromethyl-phenothiazin-10-yl)-propan-1-one
  • 3-amino-1-[2-(trifluoromethyl)-10-phenothiazinyl]propan-1-one
  • bas 02138741
  • chemdiv1_023197
  • dediethylftoracizin
CAS Number(s)
  • 40550-34-3
InChIKey QVEUKHRUDUMXID-UHFFFAOYSA-N
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