2-(2-(2-(Diethylamino)Ethoxy)Ethyl)-2,5-Dimethyl-1,3-Benzodioxole Citrate
[CAS# 100310-87-0]

Identification

• Name: 2-(2-(2-(Diethylamino)Ethoxy)Ethyl)-2,5-Dimethyl-1,3-Benzodioxole Citrate
• Synonyms: 2-Carboxy-4-Hydroxy-2-(Hydroxymethyl)-4-Oxo-Butanoate; 2-[2-(2,5-Dimethyl-1,3-Benzodioxol-2-Yl)Ethoxy]Ethyl-Diethyl-Ammonium; 2-Carboxy-4-Hydroxy-2-(Hydroxymethyl)-4-Oxobutanoate; 2-[2-(2,5-Dimethyl-1,3-Benzodioxol-2-Yl)Ethoxy]Ethyl-Diethylammonium; 2-Carboxy-4-Hydroxy-4-Keto-2-Methylol-Butyrate; 2-[2-(2,5-Dimethyl-1,3-Benzodioxol-2-Yl)Ethoxy]Ethyl-Diethyl-Ammonium
• Molecular Formula: C₂₃H₃₅NO₁₀
• Molecular Weight: 485.53
• CAS Registry Number: 100310-87-0
• SMILES: C1=C(C=CC2=C1OC(O2)(CCOCC[NH+](CC)CC)C)C.C(C(C([O-])=O)(C(=O)O)CO)C(=O)O
• InChI: 1S/C17H27NO3.C6H8O7/c1-5-18(6-2)10-12-19-11-9-17(4)20-15-8-7-14(3)13-16(15)21-17;7-2-6(4(10)11,5(12)13)1-3(8)9/h7-8,13H,5-6,9-12H2,1-4H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
• InChIKey: TZCXITBJROTPMX-UHFFFAOYSA-N

Properties

• Boiling point: 372°C at 760 mmHg (Cal.)
• Flash point: 102.6°C (Cal.)