1-(3-Indolylmethyl)Nipecotic Acid Ethyl Ester
[CAS# 101602-77-1]

Identification

• Name: 1-(3-Indolylmethyl)Nipecotic Acid Ethyl Ester
• Synonyms: 1-(1H-Indol-3-Ylmethyl)-3-Piperidinecarboxylic Acid Ethyl Ester; 1-(1H-Indol-3-Ylmethyl)Nipecotic Acid Ethyl Ester; Oprea1_596069
• Molecular Formula: C₁₇H₂₂N₂O₂
• Molecular Weight: 286.37
• CAS Registry Number: 101602-77-1
• SMILES: C2=C(C1=C(C=CC=C1)[NH]2)CN3CC(C(=O)OCC)CCC3
• InChI: 1S/C17H22N2O2/c1-2-21-17(20)13-6-5-9-19(11-13)12-14-10-18-16-8-4-3-7-15(14)16/h3-4,7-8,10,13,18H,2,5-6,9,11-12H2,1H3
• InChIKey: KQXOXXXVFSNDET-UHFFFAOYSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 430.274°C at 760 mmHg (Cal.)
• Flash point: 214.022°C (Cal.)