(2S)-1-Amino-3-[(5-Nitro-8-Quinolinyl)Amino]-2-Propanol

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Properties Simple | Detailed

Formula C12H15N4O3
IUPAC Name (2s)-1-amino-3-[(5-nitroquinolin-1-ium-4a-id-8-yl)amino]propan-2-ol
Molecular Mass 263.273 g·mol−1
Heat of Formation -18.2 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 296.9 Å 3
Surface Area 279.92 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-amino-3-[(5-nitro-8-quinolyl)amino]propan-2-ol
  • 3b3
InChIKey MBZPCTWLFNYBND-QMMMGPOBSA-N
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