Adafenoxate
[CAS# 82168-26-1]

Identification

• Name: Adafenoxate
• Synonyms: 2-(4-Chlorophenoxy)Acetic Acid 2-(1-Adamantylamino)Ethyl Ester; 2-(1-Adamantylamino)Ethyl 2-(4-Chlorophenoxy)Ethanoate; Ncgc00160658-01
• Molecular Formula: C₂₀H₂₆ClNO₃
• Molecular Weight: 363.88
• CAS Registry Number: 82168-26-1
• SMILES: C1=CC(=CC=C1OCC(OCCNC23CC4CC(C2)CC(C3)C4)=O)Cl
• InChI: 1S/C20H26ClNO3/c21-17-1-3-18(4-2-17)25-13-19(23)24-6-5-22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16,22H,5-13H2
• InChIKey: PLSMXIQMWYSHIV-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 489.23°C at 760 mmHg (Cal.)
• Flash point: 249.678°C (Cal.)