N-Allyl-6-[4-(6-Bromo-1,2-Benzothiazol-3-Yl)Phenoxy]-N-Methyl-1-Hexanamine

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Properties Simple | Detailed

Formula C23H27BrN2OS
IUPAC Name n-allyl-6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]-n-methyl-hexan-1-amine
Molecular Mass 459.442 g·mol−1
Heat of Formation 156.1 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 519.83 Å 3
Surface Area 470.86 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]-n-methyl-n-prop-2-enyl-hexan-1-amine
  • 6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]-n-methyl-n-prop-2-enylhexan-1-amine
  • allyl-[6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]hexyl]-methyl-amine
  • n-allyl-6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]-n-methyl-hexan-1-amine
  • n-allyl-6-[4-(6-bromo-1,2-benzothiazol-3-yl)phenoxy]-n-methylhexan-1-amine
  • n-{6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]hexyl}-n-methyl-2-propen-1-amine
  • r46
InChIKey ZHDHSBKTLRLUCQ-UHFFFAOYSA-N
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Elements C H O N S Br