2a-Methyl-4-oxo-1,2,2a,3,4,5-hexahydropyrrolo[4,3,2-de]quinoline-6-carbonitrile
[CAS# 939037-35-1]

Identification

• Name: 2a-Methyl-4-oxo-1,2,2a,3,4,5-hexahydropyrrolo[4,3,2-de]quinoline-6-carbonitrile
• Synonyms: 2a-methyl-4-oxo-1,2,2a,3,4,5-hexahydropyrrolo[4,3,2-de]quinoline-6-carbonitrile
• Molecular Formula: C₁₂H₁₁N₃O
• Molecular Weight: 213.24
• CAS Registry Number: 939037-35-1
• SMILES: CC12CC(=O)Nc3c1c(ccc3C#N)NC2
• InChI: 1S/C12H11N3O/c1-12-4-9(16)15-11-7(5-13)2-3-8(10(11)12)14-6-12/h2-3,14H,4,6H2,1H3,(H,15,16)
• InChIKey: XHJWHUCLMWUXMT-UHFFFAOYSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 444.848°C at 760 mmHg (Cal.)
• Flash point: 222.836°C (Cal.)
• Refractive index: 1.66 (Cal.)