Diethyl-[2-[(3-Heptoxyphenyl)Carbamoyloxy]-3-Pyrrolidin-1-Ium-1-Ylpropyl]Azanium Dichloride
[CAS# 105404-42-0]

Identification

• Name: Diethyl-[2-[(3-Heptoxyphenyl)Carbamoyloxy]-3-Pyrrolidin-1-Ium-1-Ylpropyl]Azanium Dichloride
• Synonyms: Diethyl-[2-[(3-Heptoxyphenyl)Carbamoyloxy]-3-Pyrrolidin-1-Ium-1-Yl-Propyl]Ammonium Dichloride; Diethyl-[2-[[(3-Heptoxyphenyl)Amino]-Oxomethoxy]-3-(1-Pyrrolidin-1-Iumyl)Propyl]Ammonium Dichloride; Diethyl-[2-[(3-Heptoxyphenyl)Carbamoyloxy]-3-Pyrrolidin-1-Ium-1-Yl-Propyl]Azanium Dichloride
• Molecular Formula: C₂₅H₄₅Cl₂N₃O₃
• Molecular Weight: 506.55
• CAS Registry Number: 105404-42-0
• SMILES: C2=C(NC(OC(C[NH+]1CCCC1)C[NH+](CC)CC)=O)C=CC=C2OCCCCCCC.[Cl-].[Cl-]
• InChI: 1S/C25H43N3O3.2ClH/c1-4-7-8-9-12-18-30-23-15-13-14-22(19-23)26-25(29)31-24(20-27(5-2)6-3)21-28-16-10-11-17-28;;/h13-15,19,24H,4-12,16-18,20-21H2,1-3H3,(H,26,29);2*1H
• InChIKey: DBFXWAXPXTZRSY-UHFFFAOYSA-N

Properties

• Boiling point: 518.7°C at 760 mmHg (Cal.)
• Flash point: 267.5°C (Cal.)