Zolantidine

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Properties Simple | Detailed

Formula C22H27N3OS
IUPAC Name n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine
Molecular Mass 381.534 g·mol−1
Heat of Formation 74.5 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 488.3 Å 3
Surface Area 367.71 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzothiazol-2-yl-[3-[3-(piperidinomethyl)phenoxy]propyl]amine
  • 2-(3-(3-(piperidinomethyl)phenoxy)propylamino)benzothiazole
  • 2-benzothiazolamine, n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
  • n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine
  • n-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine
  • sk&f 95282
  • skf 95282
  • skf-95282
  • tocris-1070
CAS Number(s)
  • 104076-38-2
InChIKey KUBONGDXTUOOLM-UHFFFAOYSA-N
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