3,4-Dihydro-1-(2-fluorophenyl)-3-isoquinolineethanamine ethanedioate (1:2)

Base Information

• Chemical Name: 3,4-Dihydro-1-(2-fluorophenyl)-3-isoquinolineethanamine ethanedioate (1:2)
• CAS No.: 83658-26-8
• Molecular Formula: C21H21FN2O8
• Molecular Weight: 448.401
• DSSTox Substance ID: DTXSID301003636
• Mol file: 83658-26-8.mol

Synonyms:83658-26-8;3,4-Dihydro-1-(2-fluorophenyl)-3-isoquinolineethanamine ethanedioate (1:2);3-Isoquinolineethanamine, 3,4-dihydro-1-(2-fluorophenyl)-, ethanedioate (1:2);DTXSID301003636;C17H17FN2.2C2H2O4;LS-85682;C17-H17-F-N2.2C2-H2-O4;2-(1-(2-Fluorophenyl)-3,4-dihydroisoquinolin-3-yl)ethanamine dioxalate;Oxalic acid--2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethan-1-amine (2/1)

Chemical Property of 3,4-Dihydro-1-(2-fluorophenyl)-3-isoquinolineethanamine ethanedioate (1:2)

Chemical Property:

• Vapor Pressure: 2.17E-06mmHg at 25°C
• Boiling Point: 393.2°C at 760 mmHg
• Flash Point: 191.6°C
• PSA: 187.58000
• LogP: 1.38370
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 448.12819379
• Heavy Atom Count: 32
• Complexity: 426

Purity/Quality:

99%min ^*data from raw suppliers

3,4-DIHYDRO-1-(2-FLUOROPHENYL)-3-ISOQUINOLINEETHANAMINE ETHANEDIOATE (1:2) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3F)CCN.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O