2-Benzyl-1-(3,4,5-Trimethoxyphenyl)-3,4-Dihydro-1H-Isoquinolin-2-Ium-4,6-Diol Chloride
[CAS# 79677-06-8]

Identification

• Name: 2-Benzyl-1-(3,4,5-Trimethoxyphenyl)-3,4-Dihydro-1H-Isoquinolin-2-Ium-4,6-Diol Chloride
• Synonyms: 2-(Phenylmethyl)-1-(3,4,5-Trimethoxyphenyl)-3,4-Dihydro-1H-Isoquinolin-2-Ium-4,6-Diol Chloride; 4,6-Isoquinolinediol, 1,2,3,4-Tetrahydro-2-(Phenylmethyl)-1-(3,4,5-Trimethoxyphe; 4,6-Isoquinolinediol, 1,2,3,4-Tetrahydro-2-(Phenylmethyl)-1-(3,4,5-Trimethoxyphenyl)-, Hydrochloride, Hydrate (3:3:1)
• Molecular Formula: C₂₅H₂₈ClNO₅
• Molecular Weight: 457.95
• CAS Registry Number: 79677-06-8
• SMILES: C1=C(O)C=CC3=C1C(O)C[NH+](CC2=CC=CC=C2)C3C4=CC(=C(OC)C(=C4)OC)OC.[Cl-]
• InChI: 1S/C25H27NO5.ClH/c1-29-22-11-17(12-23(30-2)25(22)31-3)24-19-10-9-18(27)13-20(19)21(28)15-26(24)14-16-7-5-4-6-8-16;/h4-13,21,24,27-28H,14-15H2,1-3H3;1H
• InChIKey: TVRBNZIOPHXBKR-UHFFFAOYSA-N

Properties

• Boiling point: 575.8°C at 760 mmHg (Cal.)
• Flash point: 302°C (Cal.)