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

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Properties Simple | Detailed

Formula C16H25N3O
IUPAC Name (2r,3s)-3-(4-aminobenzimidazol-1-ium-1-yl)nonan-2-ol
Molecular Mass 275.389 g·mol−1
Heat of Formation -172.0 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 367.86 Å 3
Surface Area 328.91 Å 2
HOMO Energy -7.99 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-3-(4-amino-1-benzimidazolyl)nonan-2-ol
  • (2r,3s)-3-(4-aminobenzimidazol-1-yl)nonan-2-ol
  • 1,3-dideaza-9-(2-hydroxy-3-nonyl)adenine
  • 1,3-dideaza-ehna
  • 1,3-dideaza-erythro-9-(2-hydroxy-3-nonyl)adenine
  • 1h-benzimidazole-1-ethanol, 4-amino-beta-hexyl-alpha-methyl-, (r*,s*)-
CAS Number(s)
  • 103298-52-8
InChIKey QVTWKVHAPMJSPW-OCCSQVGLSA-N
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