Alniditan

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Formula C17H26N4O
IUPAC Name n-[[(2r)-chroman-2-yl]methyl]-n'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
Molecular Mass 302.415 g·mol−1
Heat of Formation -48.3 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 386.46 Å 3
Surface Area 356.41 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((3-(((r)-2-chromanylmethyl)amino)propyl)amino)-1,4,5,6-tetrahydropyrimidine
  • [(2r)-chroman-2-yl]methyl-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]amine
  • n-[[(2r)-2-chromanyl]methyl]-n'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
  • n-[[(2r)-chroman-2-yl]methyl]-n'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
  • pdsp1_001399
  • pdsp2_001383
CAS Number(s)
  • 152317-89-0
InChIKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
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