1-(3,3-Dimethyl-3H-Indol-2-Yl)Ethanone
[CAS# 18781-68-5]

Identification

• Name: 1-(3,3-Dimethyl-3H-Indol-2-Yl)Ethanone
• Synonyms: 1-(3,3-dimethyl-3H-indol-2-yl)ethanone; ZINC03847670
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.24
• CAS Registry Number: 18781-68-5
• SMILES: O=C(\C2=N\c1ccccc1C2(C)C)C
• InChI: 1S/C12H13NO/c1-8(14)11-12(2,3)9-6-4-5-7-10(9)13-11/h4-7H,1-3H3
• InChIKey: XGYVLKGERYYCHD-UHFFFAOYSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Melting point: 120-128°C (Expl.)
• Boiling point: 299.359°C at 760 mmHg (Cal.)
• Flash point: 121.696°C (Cal.)
• Refractive index: 1.567 (Cal.)