Etomidoline
[CAS# 21590-92-1]

Identification

• Name: Etomidoline
• Synonyms: 2-Ethyl-3-[[3-[2-(1-Piperidyl)Ethoxy]Phenyl]Amino]Isoindolin-1-One; 2-Ethyl-3-[[3-[2-(1-Piperidyl)Ethoxy]Phenyl]Amino]-1-Isoindolinone; 2-Ethyl-3-[[3-(2-Piperidinoethoxy)Phenyl]Amino]Isoindolin-1-One
• Molecular Formula: C₂₃H₂₉N₃O₂
• Molecular Weight: 379.50
• CAS Registry Number: 21590-92-1
• EINECS: 244-463-9
• SMILES: C1=CC=C2C(=C1)C(N(C2NC3=CC(=CC=C3)OCCN4CCCCC4)CC)=O
• InChI: 1S/C23H29N3O2/c1-2-26-22(20-11-4-5-12-21(20)23(26)27)24-18-9-8-10-19(17-18)28-16-15-25-13-6-3-7-14-25/h4-5,8-12,17,22,24H,2-3,6-7,13-16H2,1H3
• InChIKey: YAWSOQSXYKAXHJ-UHFFFAOYSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 577.024°C at 760 mmHg (Cal.)
• Flash point: 302.773°C (Cal.)