(1R,3S)-1-(Aminomethyl)-3-Phenyl-3,4-Dihydro-1H-Isochromene-5,6-Diol

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Properties Simple | Detailed

Formula C16H17NO3
IUPAC Name (1r,3s)-1-(aminomethyl)-3-phenyl-isochromane-5,6-diol
Molecular Mass 271.311 g·mol−1
Heat of Formation -349.7 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 322.35 Å 3
Surface Area 288.66 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-1-(aminomethyl)-3-phenyl-isochroman-5,6-diol
  • (1r,3s)-1-(aminomethyl)-3-phenylisochroman-5,6-diol
  • 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-3-phenyl-1h-2-benzopyran
  • 1h-2-benzopyran-5,6-diol, 1-(aminomethyl)-3,4-dihydro-3-phenyl-, (1r-cis)-
  • 5,6-dihydroxy-3-phenyl-1-aminomethylisochroman
  • a 68930
  • a 70108
  • a 70360
  • a-68930
  • a-70108
  • a-70360
  • tocris-1534
CAS Number(s)
  • 130465-45-1
InChIKey SUHGRZPINGKYNV-GJZGRUSLSA-N
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