(2R,3S)-3-(1H-1,2,4-Triazol-1-Yl)-2-Nonanol

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Properties Simple | Detailed

Formula C11H21N3O
IUPAC Name (2r,3s)-3-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)nonan-2-ol
Molecular Mass 211.304 g·mol−1
Heat of Formation -148.5 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 290.71 Å 3
Surface Area 271.65 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-3-(1,2,4-triazol-1-yl)nonan-2-ol
  • 1-(2-hydroxy-3-nonyl)-1,2,4-triazole
  • 1-hntz
CAS Number(s)
  • 152343-82-3
InChIKey BKFJOEDXXGZDOD-MNOVXSKESA-N
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