(1S,3R)-1,3-Bis(Hydroxymethyl)-7-Methoxy-6-Methyl-1,2,3,4-Tetrahydro-8-Isoquinolinol

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Properties Simple | Detailed

Formula C13H19NO4
IUPAC Name (1s,3r)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Molecular Mass 253.294 g·mol−1
Heat of Formation -661.4 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 302.43 Å 3
Surface Area 269.35 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
  • (1s,3r)-7-methoxy-6-methyl-1,3-dimethylol-1,2,3,4-tetrahydroisoquinolin-8-ol
  • 1,2,3,4-tetrahydro-1,3-bis(hydroxymethyl)-8-hydroxy-6-methyl-7-methoxyisoquinoline
  • 1,3-isoquinolinedimethanol, 1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-
  • my 336-a
  • my-336-a
CAS Number(s)
  • 95727-08-5
InChIKey YZJBKEBOMYOVHX-NXEZZACHSA-N
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