11-(3-Methylaminopropyl)-11H-Dibenzo(b,f)-1,4-Oxathiepin Hydrogen Oxalate
[CAS# 82387-11-9]

Identification

• Name: 11-(3-Methylaminopropyl)-11H-Dibenzo(b,f)-1,4-Oxathiepin Hydrogen Oxalate
• Synonyms: 3-(6H-Benzo[B][1,5]Benzoxathiepin-6-Yl)Propyl-Methyl-Ammonium; 2-Hydroxy-2-Oxo-Acetate; 3-(6H-Benzo[B][1,5]Benzoxathiepin-6-Yl)Propyl-Methylammonium; 2-Hydroxy-2-Oxoacetate; 3-(6H-Benzo[B][1,5]Benzoxathiepin-6-Yl)Propyl-Methyl-Ammonium Bioxalate
• Molecular Formula: C₁₉H₂₁NO₅S
• Molecular Weight: 375.44
• CAS Registry Number: 82387-11-9
• SMILES: C1=CC=CC2=C1C(SC3=C(O2)C=CC=C3)CCC[NH2+]C.O=C([O-])C(=O)O
• InChI: 1S/C17H19NOS.C2H2O4/c1-18-12-6-11-16-13-7-2-3-8-14(13)19-15-9-4-5-10-17(15)20-16;3-1(4)2(5)6/h2-5,7-10,16,18H,6,11-12H2,1H3;(H,3,4)(H,5,6)
• InChIKey: BLYDUCXITICPMK-UHFFFAOYSA-N

Properties

• Boiling point: 398.5°C at 760 mmHg (Cal.)
• Flash point: 194.8°C (Cal.)