2-[(1S)-3,4-Dihydro-1H-Isoquinolin-2-Ium-1-Yl]Acetate
[CAS# 105400-81-5]

Identification

• Name: 2-[(1S)-3,4-Dihydro-1H-Isoquinolin-2-Ium-1-Yl]Acetate
• Synonyms: 2-[(1S)-3,4-Dihydro-1H-Isoquinolin-2-Ium-1-Yl]Ethanoate; Zinc01792748
• Molecular Formula: C₁₁H₁₃NO₂
• Molecular Weight: 191.23
• CAS Registry Number: 105400-81-5
• SMILES: [C@H]1([NH2+]CCC2=CC=CC=C12)CC([O-])=O
• InChI: 1S/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1
• InChIKey: BUAVPRGEIAVFBF-JTQLQIEISA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 386.807°C at 760 mmHg (Cal.)
• Flash point: 187.734°C (Cal.)