11-(2-Dimethylaminoethyl)-11H-Dibenzo(b,f)-1,4-Oxathiepin Hydrogen Oxalate
[CAS# 82387-03-9]

Identification

• Name: 11-(2-Dimethylaminoethyl)-11H-Dibenzo(b,f)-1,4-Oxathiepin Hydrogen Oxalate
• Synonyms: 2-(6H-Benzo[B][1,5]Benzoxathiepin-6-Yl)Ethyl-Dimethyl-Ammonium; 2-Hydroxy-2-Oxo-Acetate; 2-(6H-Benzo[B][1,5]Benzoxathiepin-6-Yl)Ethyl-Dimethylammonium; 2-Hydroxy-2-Oxoacetate; 2-(6H-Benzo[B][1,5]Benzoxathiepin-6-Yl)Ethyl-Dimethyl-Ammonium Bioxalate
• Molecular Formula: C₁₉H₂₁NO₅S
• Molecular Weight: 375.44
• CAS Registry Number: 82387-03-9
• SMILES: C1=CC=CC2=C1C(SC3=C(O2)C=CC=C3)CC[NH+](C)C.O=C([O-])C(=O)O
• InChI: 1S/C17H19NOS.C2H2O4/c1-18(2)12-11-16-13-7-3-4-8-14(13)19-15-9-5-6-10-17(15)20-16;3-1(4)2(5)6/h3-10,16H,11-12H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: VUWMOHMAZSLLTJ-UHFFFAOYSA-N

Properties

• Boiling point: 384.1°C at 760 mmHg (Cal.)
• Flash point: 186.1°C (Cal.)