1-Methyl-N~3~-{3-[3-(1-Piperidinylmethyl)Phenoxy]Propyl}-1H-1,2,4-Triazole-3,5-Diamine

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Properties Simple | Detailed

Formula C18H28N6O
IUPAC Name 1-methyl-n3-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine
Molecular Mass 344.455 g·mol−1
Heat of Formation 97.4 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 440.24 Å 3
Surface Area 335.28 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (5-amino-1-methyl-1,2,4-triazol-3-yl)-[3-[3-(piperidinomethyl)phenoxy]propyl]amine
  • 1-methyl-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine
  • 1-methyl-n-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine
  • 1h-1,2,4-triazole-3,5-diamine, 1-methyl-n3-(3-(3-(1-pyrrolidinylmethyl)phenoxy)propyl)-
  • isolamtidin
  • isolamtidine
CAS Number(s)
  • 98666-22-9
InChIKey MKJNCQMZVXXCAC-UHFFFAOYSA-N
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