2-(1-Pyrrolidinyl)ethyl 2-((hexyloxy)methyl)carbanilate oxalate
[CAS# 80171-61-5]

Identification

• Name: 2-(1-Pyrrolidinyl)ethyl 2-((hexyloxy)methyl)carbanilate oxalate
• Synonyms: 2-Hydroxy-2-Oxo-Acetate; 2-Pyrrolidin-1-Ium-1-Ylethyl N-[2-(Hexoxymethyl)Phenyl]Carbamate; N-[2-(Hexoxymethyl)Phenyl]Carbamic Acid 2-(1-Pyrrolidin-1-Iumyl)Ethyl Ester; 2-Hydroxy-2-Oxoacetate; N-[2-(Hexoxymethyl)Phenyl]Carbamic Acid 2-Pyrrolidin-1-Ium-1-Ylethyl Ester Bioxalate
• Molecular Formula: C₂₂H₃₄N₂O₇
• Molecular Weight: 438.52
• CAS Registry Number: 80171-61-5
• SMILES: C2=C(NC(OCC[NH+]1CCCC1)=O)C(=CC=C2)COCCCCCC.O=C([O-])C(=O)O
• InChI: 1S/C20H32N2O3.C2H2O4/c1-2-3-4-9-15-24-17-18-10-5-6-11-19(18)21-20(23)25-16-14-22-12-7-8-13-22;3-1(4)2(5)6/h5-6,10-11H,2-4,7-9,12-17H2,1H3,(H,21,23);(H,3,4)(H,5,6)
• InChIKey: FSSHMGMYEVLLBZ-UHFFFAOYSA-N

Properties

• Boiling point: 432.1°C at 760 mmHg (Cal.)
• Flash point: 215.1°C (Cal.)