1-[(3,4-Dihydroxyphenyl)Methyl]-1,2,3,4-Tetrahydro-2-Methyl-(1S)-6,7-Isoquinolinediol
[CAS# 57231-31-9]

Identification

• Name: 1-[(3,4-Dihydroxyphenyl)Methyl]-1,2,3,4-Tetrahydro-2-Methyl-(1S)-6,7-Isoquinolinediol
• Synonyms: 1-(3,4-Dihydroxybenzyl)-2-Methyl-3,4-Dihydro-1H-Isoquinoline-6,7-Diol; (S)-1-((3,4-Dihydroxyphenyl)Methyl)-1,2,3,4-Tetrahydro-2-Methylisoquinoline-6,7-Diol; 6,7-Isoquinolinediol, 1-[(3,4-Dihydroxyphenyl)Methyl]-1,2,3,4-Tetrahydro-2-Methyl-
• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.34
• CAS Registry Number: 57231-31-9
• EINECS: 260-635-6
• SMILES: C1=C(O)C(=CC3=C1C(CC2=CC=C(C(=C2)O)O)N(CC3)C)O
• InChI: 1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3
• InChIKey: VHRSWCTVFBWHKE-UHFFFAOYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 547.965°C at 760 mmHg (Cal.)
• Flash point: 322.961°C (Cal.)