(1R,3S)-1,2,3,4-Tetrahydro-8-Hydroxy-7-Methoxy-6-Methyl-1,3-Isoquinolinedimethanol
[CAS# 95727-08-5]

Identification

• Name: (1R,3S)-1,2,3,4-Tetrahydro-8-Hydroxy-7-Methoxy-6-Methyl-1,3-Isoquinolinedimethanol
• Synonyms: (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-
• Molecular Formula: C₁₃H₁₉NO₄
• Molecular Weight: 253.30
• CAS Registry Number: 95727-08-5
• SMILES: [C@@H]2(CC1=CC(=C(C(=C1[C@H](N2)CO)O)OC)C)CO
• InChI: 1S/C13H19NO4/c1-7-3-8-4-9(5-15)14-10(6-16)11(8)12(17)13(7)18-2/h3,9-10,14-17H,4-6H2,1-2H3/t9-,10-/m1/s1
• InChIKey: YZJBKEBOMYOVHX-NXEZZACHSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 401.173°C at 760 mmHg (Cal.)
• Flash point: 196.423°C (Cal.)