(21Ar)-10-(3-Aminopropyl)Octadecahydro-2H-Pyrido[1,2-F][1,6]Diazacyclooctadecin-11(6H)-One

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Properties Simple | Detailed

Formula C23H45N3O
IUPAC Name (1s,18r)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
Molecular Mass 379.623 g·mol−1
Heat of Formation -462.8 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 541.38 Å 3
Surface Area 408.3 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (18r)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
  • 2h-pyrido(1,2-f)(1,6)diazacyclooctadecin-11(6h)-one, 10-(3-aminopropyl)octadecahydro-, (r)-
CAS Number(s)
  • 53602-28-1
InChIKey HDBGIAZFRILRHP-JOCHJYFZSA-N
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