1-[3-Hydroxy-5-(Hydroxymethyl)-2-Methylpyridin-4-Yl]-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol
[CAS# 36120-58-8]

Identification

• Name: 1-[3-Hydroxy-5-(Hydroxymethyl)-2-Methylpyridin-4-Yl]-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol
• Synonyms: 1-[3-Hydroxy-5-(Hydroxymethyl)-2-Methyl-4-Pyridyl]-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol; 1-(3-Hydroxy-2-Methyl-5-Methylol-4-Pyridyl)-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol; 1-[3-Hydroxy-5-(Hydroxymethyl)-2-Methyl-Pyridin-4-Yl]-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol
• Molecular Formula: C₁₆H₁₈N₂O₄
• Molecular Weight: 302.33
• CAS Registry Number: 36120-58-8
• SMILES: C1=C(O)C(=CC3=C1C(C2=C(C(=NC=C2CO)C)O)NCC3)O
• InChI: 1S/C16H18N2O4/c1-8-16(22)14(10(7-19)6-18-8)15-11-5-13(21)12(20)4-9(11)2-3-17-15/h4-6,15,17,19-22H,2-3,7H2,1H3
• InChIKey: XGMGYAMJDYPOES-UHFFFAOYSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 574.199°C at 760 mmHg (Cal.)
• Flash point: 301.065°C (Cal.)