2-Methylharmine
[CAS# 6519-18-2]

Identification

• Name: 2-Methylharmine
• Synonyms: 7-Methoxy-1,2-Dimethyl-Pyrido[3,4-B]Indole; 7-Methoxy-1,2-Dimethyl-$B-Carboline; St5443743
• Molecular Formula: C₁₄H₁₄N₂O
• Molecular Weight: 226.28
• CAS Registry Number: 6519-18-2
• SMILES: C2=CC(=CC3=NC1=C([N](C)C=CC1=C23)C)OC
• InChI: 1S/C14H14N2O/c1-9-14-12(6-7-16(9)2)11-5-4-10(17-3)8-13(11)15-14/h4-8H,1-3H3
• InChIKey: SNPOLGTUMADPOR-UHFFFAOYSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 446.155°C at 760 mmHg (Cal.)
• Flash point: 223.627°C (Cal.)

References

• (1): D. Reyman, C. Díaz-Oliva, F. Hallwass and S. M. Gonçalves de Barros. New insights into the photo-tautomerisation process in β-carboline derivatives revealed by NMR spectroscopy, RSC Advances, 2011, 1, 857.