2-({[3-(Dimethylamino)Propyl](Methyl)Amino}Methyl)-4-(~123~I)Iodo-6-Methylphenol

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Properties Simple | Detailed

Formula C14H23IN2O
IUPAC Name 2-[[3-(dimethylamino)propyl-methyl-amino]methyl]-4-(123i)iodanyl-6-methyl-phenol
Molecular Mass 358.251 g·mol−1
Heat of Formation -105.2 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 365.23 Å 3
Surface Area 325.64 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (i-123)-hipdm
  • 2-(((3-(dimethylamino)propyl)methylamino)methyl)-4-(iodo-123i)-6-methylphenol
  • n,n,n'-trimethyl-n'-(2-hydroxy-3-methyl-5-iodobenzyl)-1,3-propanediamine
  • phenol, 2-(((3-(dimethylamino)propyl)methylamino)methyl)-4-(iodo-123i)-6-methyl-
CAS Number(s)
  • 84718-97-8
InChIKey GFSRNGJEVLAEDY-RGEMYEQESA-N
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