(2E)-N-[3-(3,3'-Bithiophen-5-Ylmethoxy)Benzyl]-N-Ethyl-6,6-Dimethyl-2-Hepten-4-Yn-1-Amine

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Properties Simple | Detailed

Formula C27H31NOS2
IUPAC Name (e)-n-ethyl-6,6-dimethyl-n-[[3-[[4-(3-thienyl)-2-thienyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
Molecular Mass 449.671 g·mol−1
Heat of Formation 318.1 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 578.22 Å 3
Surface Area 451.46 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-n-ethyl-6,6-dimethyl-n-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
  • (e)-n-ethyl-6,6-dimethyl-n-[[3-[[4-(3-thienyl)-2-thienyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
  • [(e)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[[4-(3-thienyl)-2-thienyl]methoxy]benzyl]amine
  • benzenemethanamine, 3-((3,3'-bithiophen)-5-ylmethoxy)-n-(6,6-dimethyl-2-hepten-4-ynyl)-n-ethyl-, (e)-
  • n-ethyl-n-(6,6-dimethyl-2-hepten-4-ynyl)-3-((3,3'-bithiophen-5-yl)methoxy)benzenemethanamine
  • nb 598
  • nb-598
CAS Number(s)
  • 131060-14-5
InChIKey KIRGLCXNEVICOG-SOFGYWHQSA-N
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