2-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride

Base Information

• Chemical Name: 2-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
• CAS No.: 79677-15-9
• Molecular Formula: C₁₆H₁₇NO₂*ClH
• Molecular Weight: 291.777
• DSSTox Substance ID: DTXSID401000659
• Mol file: 79677-15-9.mol

Synonyms:79677-15-9;2-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride;DTXSID401000659;2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)

Chemical Property of 2-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride

Chemical Property:

• Vapor Pressure: 2.12E-08mmHg at 25°C
• Boiling Point: 436.7°C at 760 mmHg
• Flash Point: 237.4°C
• PSA: 43.70000
• LogP: 3.18130
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 291.1026065
• Heavy Atom Count: 20
• Complexity: 291

Purity/Quality:

97% ^*data from raw suppliers

1,2,3,4-TETRAHYDRO-2-(PHENYLMETHYL)-4,6-ISOQUINOLINEDIOL HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=C(CN1CC3=CC=CC=C3)C=CC(=C2)O)O.Cl