N-[(2R)-2-Hydroxy-3-(1-Piperidinyl)Propoxy]-3-Pyridinecarboximidoyl Chloride 1-Oxide

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Properties Simple | Detailed

Formula C14H20ClN3O3
IUPAC Name (3z)-n-[(2r)-2-hydroxy-3-(1-piperidyl)propoxy]-1-oxido-piperidine-2,3,4,5,6-pentaide-3-carboximidoyl chloride
Molecular Mass 313.780 g·mol−1
Heat of Formation -136.3 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 366.11 Å 3
Surface Area 332.11 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinecarboximidoyl chloride, n-((2r)-2-hydroxy-3-(1-piperidinyl)propoxy)-, 1-oxide
  • arimoclomol
  • brx 345
  • brx-345
  • n-((2r)-2-hydroxy-3-(1-piperidyl)propoxy)pyridine-3-carboximidoyl chloride, 1-oxide
  • n-[(2r)-2-hydroxy-3-(1-piperidyl)propoxy]-1-oxido-3-pyridin-1-iumcarboximidoyl chloride
  • n-[(2r)-2-hydroxy-3-(1-piperidyl)propoxy]-1-oxido-pyridin-1-ium-3-carboximidoyl chloride
  • n-[(2r)-2-hydroxy-3-piperidin-1-yl-propoxy]-1-oxido-pyridin-1-ium-3-carboximidoyl chloride
  • n-[(2r)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride
  • n-[(2r)-2-hydroxy-3-piperidino-propoxy]-1-oxido-pyridin-1-ium-3-carboximidoyl chloride
CAS Number(s)
  • 289893-25-0
InChIKey SGEIEGAXKLMUIZ-XUVDNFPMSA-N
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Elements H C N O Cl