2-Diethylaminoethyl 2-Methyl-1,3-Benzodioxole-2-Acetate
[CAS# 50836-12-9]

Identification

• Name: 2-Diethylaminoethyl 2-Methyl-1,3-Benzodioxole-2-Acetate
• Synonyms: Citric Acid; 2-Diethylaminoethyl 2-(2-Methyl-1,3-Benzodioxol-2-Yl)Acetate; Citric Acid; 2-(2-Methyl-1,3-Benzodioxol-2-Yl)Acetic Acid 2-Diethylaminoethyl Ester; 2-Diethylaminoethyl 2-(2-Methyl-1,3-Benzodioxol-2-Yl)Ethanoate; 2-Hydroxypropane-1,2,3-Tricarboxylic Acid
• Molecular Formula: C₂₂H₃₁NO₁₁
• Molecular Weight: 485.49
• CAS Registry Number: 50836-12-9
• SMILES: C1=CC=CC2=C1OC(O2)(CC(OCCN(CC)CC)=O)C.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/C16H23NO4.C6H8O7/c1-4-17(5-2)10-11-19-15(18)12-16(3)20-13-8-6-7-9-14(13)21-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9H,4-5,10-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: XGYJPDGPSTWMTO-UHFFFAOYSA-N

Properties

• Boiling point: 377.5°C at 760 mmHg (Cal.)
• Flash point: 182.1°C (Cal.)