beta-Carboline-3-Carboxylic Acid Methyl ester
[CAS# 69954-48-9]

Identification

• Name: beta-Carboline-3-Carboxylic Acid Methyl ester
• Synonyms: 9H-Pyrido[5,4-B]Indole-3-Carboxylic Acid Methyl Ester; 9H-$B-Carboline-3-Carboxylic Acid Methyl Ester; Pdsp2_001757
• Molecular Formula: C₁₃H₁₀N₂O₂
• Molecular Weight: 226.23
• CAS Registry Number: 69954-48-9
• SMILES: C1=C(C(OC)=O)N=CC3=C1C2=C(C=CC=C2)[NH]3
• InChI: 1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
• InChIKey: UKHFPVCOXBJPIN-UHFFFAOYSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 466.72°C at 760 mmHg (Cal.)
• Flash point: 236.064°C (Cal.)

References

• (1): M. Kubicki, P.W. Codding. Form II of monoclinic methyl [beta]-carboline-3-carboxylate, Acta Cryst C 2001 Volume 57 Part 6 Page 728-729