(+-)-N-T-Butyl-11H-Dibenzo(b,e)(1,4)Dioxepin-11-Ethanamine Fumarate
[CAS# 81320-42-5]

Identification

• Name: (+-)-N-T-Butyl-11H-Dibenzo(b,e)(1,4)Dioxepin-11-Ethanamine Fumarate
• Synonyms: N-[2-(6H-Benzo[C][1,5]Benzodioxepin-6-Yl)Ethyl]-2-Methyl-Propan-2-Amine; But-2-Enedioic Acid; 2-(6H-Benzo[C][1,5]Benzodioxepin-6-Yl)Ethyl-Tert-Butyl-Amine; But-2-Enedioic Acid; (+-)-N-T-Butyl-11H-Dibenzo(B,E)(1,4)Dioxepin-11-Ethanamine Fumarate
• Molecular Formula: C₂₃H₂₇NO₆
• Molecular Weight: 413.47
• CAS Registry Number: 81320-42-5
• SMILES: C1=C3C(=CC=C1)OC2=CC=CC=C2OC3CCNC(C)(C)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/C19H23NO2.C4H4O4/c1-19(2,3)20-13-12-16-14-8-4-5-9-15(14)21-17-10-6-7-11-18(17)22-16;5-3(6)1-2-4(7)8/h4-11,16,20H,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: QJSZHWXWKOSXCK-WLHGVMLRSA-N

Properties

• Boiling point: 397.3°C at 760 mmHg (Cal.)
• Flash point: 171.7°C (Cal.)