N-(2-Pyridinylmethyl)-2-[4-(1,4,7-Triazacyclotetradecan-4-Ylmethyl)Phenyl]Ethanamine

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Properties Simple | Detailed

Formula C26H41N5
IUPAC Name n-(3h-pyridin-1-ium-3-id-6-ylmethyl)-2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethanamine
Molecular Mass 423.637 g·mol−1
Heat of Formation 109.1 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 577.27 Å 3
Surface Area 443.95 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2-pyridylmethyl)(2-{4n-[(1,4,12-triazacyclotetradecyl)methyl]phenyl}ethyl)amine
  • 2-pyridylmethyl-[2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethyl]amine
  • amd-8664
  • n-(2-pyridylmethyl)-2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethanamine
  • n-(pyridin-2-ylmethyl)-2-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]ethanamine
InChIKey SGTNJQDKVYLLRW-UHFFFAOYSA-N
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