4-Azido-N-[2-(N'-Cyano-N''-{3-[3-(1-Piperidinylmethyl)Phenoxy]Propyl}Carbamimidamido)Ethyl]-3-Iodobenzamide

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Properties Simple | Detailed

Formula C20H21IN9O2
IUPAC Name 3-[[(5z)-3-azabicyclo[7.4.0]trideca-5,7,8,10,12-pentaen-12-yl]oxy]prop-1-ynyl-methylidyne-ammonium; cyanomethyl(methylidyne)ammonium; formaldehyde; imino(iodoimino)ammonium; molecular nitrogen
Molecular Mass 546.344 g·mol−1
Heat of Formation 4203.4 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 538.31 Å 3
Surface Area 426.14 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-azido-n-[2-[[(cyanoamino)-[3-[3-(1-piperidylmethyl)phenoxy]propylimino]methyl]amino]ethyl]-3-iodobenzamide
  • 4-azido-n-[2-[[n-cyano-n'-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodo-benzamide
  • 4-azido-n-[2-[[n-cyano-n'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodo-benzamide
  • 4-azido-n-[2-[[n-cyano-n'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodobenzamide
  • 4-azido-n-[2-[[n-cyano-n'-[3-[3-(piperidinomethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodo-benzamide
  • benzamide, 4-azido-n-(2-(((cyanoamino)((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)methylene)amino)ethyl)-3-iodo-
  • i-azpt
  • iodoazidopotentidine
  • n-(2-(4-azido-3-iodobenzamido)ethyl)-n'-cyano-n''-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)guanidine
CAS Number(s)
  • 126632-02-8
InChIKey ZDEJFUULRAFTAI-UHFFFAOYSA-N
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