2-Benzothiazolamine, N-Methyl-N-(1-(4-Phenoxybutyl)-1H-Pyrrol-3-Yl)-

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Properties Simple | Detailed

Formula C22H23N3OS
IUPAC Name n-methyl-n-[1-(4-phenoxybutyl)-2h-pyrrol-1-ium-2-ylium-3-yl]-1,3-benzothiazol-2-amine
Molecular Mass 377.503 g·mol−1
Heat of Formation 221.3 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 459.05 Å 3
Surface Area 366.58 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzothiazol-2-yl-methyl-[1-[4-(phenoxy)butyl]pyrrol-3-yl]amine
  • n-methyl-n-(1-(4-phenoxybutyl)-3-pyrrolidinyl)-2-benzothiazolamine
  • n-methyl-n-[1-[4-(phenoxy)butyl]-3-pyrrolyl]-1,3-benzothiazol-2-amine
  • n-methyl-n-[1-[4-(phenoxy)butyl]pyrrol-3-yl]-1,3-benzothiazol-2-amine
  • r 59494
  • r-59494
CAS Number(s)
  • 136917-41-4
InChIKey PFBZXLGUUGDBNI-UHFFFAOYSA-N
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