3-[(Methyl{3-[(9-Oxo-9H-Xanthen-3-Yl)Oxy]Propyl}Amino)Methyl]Phenyl Methylcarbamate

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Properties Simple | Detailed

Formula C26H27N2O5+
IUPAC Name [3-[[methyl-[3-(9-oxoxanthen-3-yl)oxypropyl]amino]methyl]phenyl] n-methylcarbamate
Molecular Mass 447.503 g·mol−1
Heat of Formation -572.1 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 531.72 Å 3
Surface Area 406.52 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • [3-[[methyl-[3-(9-oxoxanthen-3-yl)oxypropyl]amino]methyl]phenyl] n-methylcarbamate
  • n-methylcarbamic acid [3-[[3-(9-ketoxanthen-3-yl)oxypropyl-methyl-amino]methyl]phenyl] ester
  • n-methylcarbamic acid [3-[[methyl-[3-[(9-oxo-3-xanthenyl)oxy]propyl]amino]methyl]phenyl] ester
InChIKey DNSUFPJFKSCBRT-UHFFFAOYSA-N
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