Trans-2-(Diethylamino)Ethyl 2,3-Dihydro-3-Phenyl-1,4-Benzodioxin-2-Carboxylate Citrate
[CAS# 80428-15-5]

Identification

• Name: Trans-2-(Diethylamino)Ethyl 2,3-Dihydro-3-Phenyl-1,4-Benzodioxin-2-Carboxylate Citrate
• Synonyms: 3-Carboxy-4-Hydroxy-3-(Hydroxymethyl)-4-Oxo-Butanoate; Diethyl-[2-[(2R,3S)-3-Phenyl2,3-Dihydro-1,4-Benzodioxine-2-Carbonyl]Oxyethyl]Ammonium; 3-Carboxy-4-Hydroxy-3-(Hydroxymethyl)-4-Oxobutanoate; Diethyl-[2-[Oxo-[(2R,3S)-3-Phenyl-2,3-Dihydro-1,4-Benzodioxin-2-Yl]Methoxy]Ethyl]Ammonium; 3-Carboxy-4-Hydroxy-4-Keto-3-Methylol-Butyrate; Diethyl-[2-[(2R,3S)-3-Phenyl2,3-Dihydro-1,4-Benzodioxine-2-Carbonyl]Oxyethyl]Ammonium
• Molecular Formula: C₂₇H₃₃NO₁₁
• Molecular Weight: 547.56
• CAS Registry Number: 80428-15-5
• SMILES: [C@H]1(OC2=C(O[C@H]1C(OCC[NH+](CC)CC)=O)C=CC=C2)C3=CC=CC=C3.C(C(C(=O)O)(C(=O)O)CO)C([O-])=O
• InChI: 1S/C21H25NO4.C6H8O7/c1-3-22(4-2)14-15-24-21(23)20-19(16-10-6-5-7-11-16)25-17-12-8-9-13-18(17)26-20;7-2-6(4(10)11,5(12)13)1-3(8)9/h5-13,19-20H,3-4,14-15H2,1-2H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/t19-,20+;/m0./s1
• InChIKey: WKVNPSWPCGOITH-CMXBXVFLSA-N

Properties

• Boiling point: 475.9°C at 760 mmHg (Cal.)
• Flash point: 241.6°C (Cal.)