(5S)-5-[(Dimethylamino)Methyl]-1-{[Hydroxy(Methoxy)Phosphoryl]Oxy}-4,5-Dihydro-1H-Imidazol-2-Amine

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Properties Simple | Detailed

Formula C7H17N4O4P
IUPAC Name [(5s)-2-amino-5-[(dimethylamino)methyl]-4,5-dihydroimidazol-1-yl] methyl hydrogen phosphate
Molecular Mass 252.208 g·mol−1
Heat of Formation -822.6 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 288.86 Å 3
Surface Area 257.27 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-2-amino-1-((hydroxymethoxyphosphinyl)oxy)-n,n-dimethyl-4,5-dihydro-1h-imidazole-5-methanamine
  • 1h-imidazole-5-methanamine, 2-amino-4,5-dihydro-1-((hydroxymethoxyphosphinyl)oxy)-n,n-dimethyl-, (5s)-
  • anatoxin-a(s)
CAS Number(s)
  • 103170-78-1
InChIKey FYXHGVMFJYHPFX-ZCFIWIBFSA-N
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