3,3-Dimethyl-4(3H)-isoquinolinone 2-oxide
[CAS# 184375-98-2]

Identification

• Name: 3,3-Dimethyl-4(3H)-isoquinolinone 2-oxide
• Synonyms: 3,3-Dimethyl-2-Oxido-Isoquinolin-2-Ium-4-One; 3,3-Dimethyl-2-Oxido-4-Isoquinolin-2-Iumone; 3,3-Dimethyl-3,4-Dihydro-3H-Isoquinolin-4-One N-Oxide
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.21
• CAS Registry Number: 184375-98-2
• SMILES: C2=C1C(=O)C([N+](=CC1=CC=C2)[O-])(C)C
• InChI: 1S/C11H11NO2/c1-11(2)10(13)9-6-4-3-5-8(9)7-12(11)14/h3-7H,1-2H3
• InChIKey: DKFRIHPRWJJCHM-UHFFFAOYSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 352.087°C at 760 mmHg (Cal.)
• Flash point: 173.307°C (Cal.)