2-Benzyl-3,4-Dihydro-1H-Isoquinolin-2-Ium-4,6-Diol Chloride
[CAS# 79677-15-9]

Identification

• Name: 2-Benzyl-3,4-Dihydro-1H-Isoquinolin-2-Ium-4,6-Diol Chloride
• Synonyms: 2-(Phenylmethyl)-3,4-Dihydro-1H-Isoquinolin-2-Ium-4,6-Diol Chloride; 4,6-Isoquinolinediol, 1,2,3,4-Tetrahydro-2-(Phenylmethyl)-, Hydrochloride; 1,2,3,4-Tetrahydro-2-(Phenylmethyl)-4,6-Isoquinolinediol Hydrochloride
• Molecular Formula: C₁₆H₁₈ClNO₂
• CAS Registry Number: 79677-15-9
• SMILES: C1=C(O)C=CC3=C1C(O)C[NH+](CC2=CC=CC=C2)C3.[Cl-]
• InChI: 1S/C16H17NO2.ClH/c18-14-7-6-13-10-17(11-16(19)15(13)8-14)9-12-4-2-1-3-5-12;/h1-8,16,18-19H,9-11H2;1H
• InChIKey: YQPXNFGMDZLYLE-UHFFFAOYSA-N

Properties

• Boiling point: 436.7°C at 760 mmHg (Cal.)
• Flash point: 237.4°C (Cal.)