N-Allyl-6-{[1-(4-Bromophenyl)-6-Isoquinolinyl]Oxy}-N-Methyl-1-Hexanamine

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Properties Simple | Detailed

Formula C25H29BrN2O
IUPAC Name n-allyl-6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]-n-methyl-hexan-1-amine
Molecular Mass 453.415 g·mol−1
Heat of Formation 140.4 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 526.55 Å 3
Surface Area 476.03 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-n-methyl-n-prop-2-enyl-hexan-1-amine
  • allyl-[6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]hexyl]-methyl-amine
  • n-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
  • n-allyl-6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]-n-methyl-hexan-1-amine
  • n-allyl-6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]-n-methylhexan-1-amine
InChIKey PPLTVWUUFGVURW-UHFFFAOYSA-N
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Elements H C Br O N