1-Methyl-beta-Carboline-3-Carboxylic Acid Methyl Ester
[CAS# 16641-82-0]

Identification

• Name: 1-Methyl-beta-Carboline-3-Carboxylic Acid Methyl Ester
• Synonyms: 1-Methyl-9H-Pyrido[5,4-B]Indole-3-Carboxylic Acid Methyl Ester; 1-Methyl-9H-$B-Carboline-3-Carboxylic Acid Methyl Ester; 1-Methyl-9H-Pyrido(3,4-B)Indole-3-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₄H₁₂N₂O₂
• Molecular Weight: 240.26
• CAS Registry Number: 16641-82-0
• SMILES: C1=C(N=C(C3=C1C2=C(C=CC=C2)[NH]3)C)C(=O)OC
• InChI: 1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3
• InChIKey: LIAUJQLOCLVMMH-UHFFFAOYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 469.285°C at 760 mmHg (Cal.)
• Flash point: 237.615°C (Cal.)

References

• (1): Bertoni Giuseppe, Merlini Lucio, Nasini Gianluca, Abenaim Umberto. 1-Methyl-.beta.-carboline-3-carboxylic acid, an unusual metabolite from cows fed with corn silage, Journal of Agricultural and Food Chemistry, 1980