(Butyl)(2-(Diethylammonio)Ethyl)(1-Naphthoyl)Ammonium Hydrogen Citrate
[CAS# 94157-87-6]

Identification

• Name: (Butyl)(2-(Diethylammonio)Ethyl)(1-Naphthoyl)Ammonium Hydrogen Citrate
• Synonyms: 2-(Butyl-(Naphthalene-1-Carbonyl)Ammonio)Ethyl-Diethyl-Ammonium; Citric Acid; 2-[Butyl-(1-Naphthyl-Oxomethyl)Ammonio]Ethyl-Diethylammonium; Citric Acid; 2-(Butyl-Naphthalen-1-Ylcarbonyl-Azaniumyl)Ethyl-Diethyl-Azanium; 2-Hydroxypropane-1,2,3-Tricarboxylic Acid
• Molecular Formula: C₂₇H₄₀N₂O₈
• Molecular Weight: 520.62
• CAS Registry Number: 94157-87-6
• EINECS: 303-055-1
• SMILES: C2=C(C(=O)[NH+](CC[NH+](CC)CC)CCCC)C1=CC=CC=C1C=C2.C(C(O)(CC(O)=O)C(O)=O)C(O)=O
• InChI: 1S/C21H30N2O.C6H8O7/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-14H,4-7,15-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p+2
• InChIKey: ROPZWLPGYFZSSN-UHFFFAOYSA-P

Properties

• Boiling point: 664.7°C at 760 mmHg (Cal.)
• Flash point: 355.8°C (Cal.)