2-(5-Ethyl-5,11-dihydrodibenzo[b,e][1,4]oxazepin-11-yl)-N,N-dimethylethanamine (2E)-2-butenedioate (1:1)
[CAS# 86640-32-6]

Identification

• Name: 2-(5-Ethyl-5,11-dihydrodibenzo[b,e][1,4]oxazepin-11-yl)-N,N-dimethylethanamine (2E)-2-butenedioate (1:1)
• Molecular Formula: C₂₃H₂₈N₂O₅
• Molecular Weight: 412.48
• CAS Registry Number: 86640-32-6
• SMILES: O=C(O)\C=C\C(=O)O.O3c1ccccc1N(c2c(cccc2)C3CCN(C)C)CC
• InChI: 1S/C19H24N2O.C4H4O4/c1-4-21-16-10-6-5-9-15(16)18(13-14-20(2)3)22-19-12-8-7-11-17(19)21;5-3(6)1-2-4(7)8/h5-12,18H,4,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: LRMSNWVGNACFKR-WLHGVMLRSA-N

Properties

• Boiling point: 403.1°C at 760 mmHg (Cal.)
• Flash point: 114°C (Cal.)