4-Acetoxy-3,3-dimethyl-3,4-dihydroisoquinoline N-oxide
[CAS# 184375-99-3]

Identification

• Name: 4-Acetoxy-3,3-dimethyl-3,4-dihydroisoquinoline N-oxide
• Synonyms: Acetic Acid (3,3-Dimethyl-2-Oxido-4H-Isoquinolin-2-Ium-4-Yl) Ester; (3,3-Dimethyl-2-Oxido-4H-Isoquinolin-2-Ium-4-Yl) Ethanoate; 3,4-Dihydro-3,3-Dimethyl-4-Isoquinolinol Acetate (Ester) 2-Oxide
• Molecular Formula: C₁₃H₁₅NO₃
• Molecular Weight: 233.27
• CAS Registry Number: 184375-99-3
• SMILES: C2=C1C(OC(=O)C)C([N+](=CC1=CC=C2)[O-])(C)C
• InChI: 1S/C13H15NO3/c1-9(15)17-12-11-7-5-4-6-10(11)8-14(16)13(12,2)3/h4-8,12H,1-3H3
• InChIKey: QPOZZORBOCMGHT-UHFFFAOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 345.517°C at 760 mmHg (Cal.)
• Flash point: 144.405°C (Cal.)