9H-beta-Carboline-3-Carboxylic Acid Propyl Ester
[CAS# 76808-18-9]

Identification

• Name: 9H-beta-Carboline-3-Carboxylic Acid Propyl Ester
• Synonyms: 9H-Pyrido[5,4-B]Indole-3-Carboxylic Acid Propyl Ester; 9H-$B-Carboline-3-Carboxylic Acid Propyl Ester; Bpbio1_001101
• Molecular Formula: C₁₅H₁₄N₂O₂
• Molecular Weight: 254.29
• CAS Registry Number: 76808-18-9
• SMILES: C3=C2C1=C(C=CC=C1)[NH]C2=CN=C3C(OCCC)=O
• InChI: 1S/C15H14N2O2/c1-2-7-19-15(18)13-8-11-10-5-3-4-6-12(10)17-14(11)9-16-13/h3-6,8-9,17H,2,7H2,1H3
• InChIKey: WGRVAGIQTHEEQW-UHFFFAOYSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 476.827°C at 760 mmHg (Cal.)
• Flash point: 242.176°C (Cal.)