(+-)-N,N-Diethyl-11H-Dibenzo(b,e)(1,4)Dioxepin-11-Ethanamine
[CAS# 81320-19-6]

Identification

• Name: (+-)-N,N-Diethyl-11H-Dibenzo(b,e)(1,4)Dioxepin-11-Ethanamine
• Synonyms: 2-(6H-Benzo[C][1,5]Benzodioxepin-6-Yl)-N,N-Diethyl-Ethanamine; But-2-Enedioic Acid; 2-(6H-Benzo[C][1,5]Benzodioxepin-6-Yl)Ethyl-Diethyl-Amine; But-2-Enedioic Acid; (+-)-N,N-Diethyl-11H-Dibenzo(B,E)(1,4)Dioxepin-11-Ethanamine
• Molecular Formula: C₂₃H₂₇NO₆
• Molecular Weight: 413.47
• CAS Registry Number: 81320-19-6
• SMILES: C1=C3C(=CC=C1)OC2=CC=CC=C2OC3CCN(CC)CC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C19H23NO2.C4H4O4/c1-3-20(4-2)14-13-17-15-9-5-6-10-16(15)21-18-11-7-8-12-19(18)22-17;5-3(6)1-2-4(7)8/h5-12,17H,3-4,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: QBUZVLCPPAHMJG-WLHGVMLRSA-N

Properties

• Boiling point: 393.9°C at 760 mmHg (Cal.)
• Flash point: 123.6°C (Cal.)