Diethyl-[2-[(2-Hexoxyphenyl)Carbamoyloxy]-3-Pyrrolidin-1-Ium-1-Ylpropyl]Azanium, 2-Hydroxy-2-Oxoacetate
[CAS# 105404-39-5]

Identification

• Name: Diethyl-[2-[(2-Hexoxyphenyl)Carbamoyloxy]-3-Pyrrolidin-1-Ium-1-Ylpropyl]Azanium, 2-Hydroxy-2-Oxoacetate
• Synonyms: Diethyl-[2-[(2-Hexoxyphenyl)Carbamoyloxy]-3-Pyrrolidin-1-Ium-1-Yl-Propyl]Ammonium; 2-Hydroxy-2-Oxo-Acetate; Diethyl-[2-[[(2-Hexoxyphenyl)Amino]-Oxomethoxy]-3-(1-Pyrrolidin-1-Iumyl)Propyl]Ammonium; 2-Hydroxy-2-Oxoacetate; Diethyl-[2-[(2-Hexoxyphenyl)Carbamoyloxy]-3-Pyrrolidin-1-Ium-1-Yl-Propyl]Ammonium Dibioxalate
• Molecular Formula: C₂₈H₄₅N₃O₁₁
• Molecular Weight: 599.68
• CAS Registry Number: 105404-39-5
• SMILES: C1=CC=CC(=C1NC(OC(C[NH+]2CCCC2)C[NH+](CC)CC)=O)OCCCCCC.O=C([O-])C(=O)O.O=C([O-])C(=O)O
• InChI: 1S/C24H41N3O3.2C2H2O4/c1-4-7-8-13-18-29-23-15-10-9-14-22(23)25-24(28)30-21(19-26(5-2)6-3)20-27-16-11-12-17-27;2*3-1(4)2(5)6/h9-10,14-15,21H,4-8,11-13,16-20H2,1-3H3,(H,25,28);2*(H,3,4)(H,5,6)
• InChIKey: NVGGPSNNMFLNDE-UHFFFAOYSA-N

Properties

• Boiling point: 506.7°C at 760 mmHg (Cal.)
• Flash point: 260.2°C (Cal.)