8-Chloro-5-(4-methyl-1-piperazinyl)-Pyrido(2,3-b)(1,5)benzoxazepine (E)-2-butenedioate (1:1)
[CAS# 174762-89-1]

Identification

• Name: 8-Chloro-5-(4-methyl-1-piperazinyl)-Pyrido(2,3-b)(1,5)benzoxazepine (E)-2-butenedioate (1:1)
• Synonyms: But-2-Enedioic Acid; 8-Chloro-5-(4-Methyl-1-Piperazinyl)Pyrido[2,3-B][1,5]Benzoxazepine; Jl-13 Compound; Jl13
• Molecular Formula: C₂₁H₂₁ClN₄O₅
• Molecular Weight: 444.87
• CAS Registry Number: 174762-89-1
• SMILES: C1=CC=NC3=C1C(=NC2=CC(=CC=C2O3)Cl)N4CCN(CC4)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/C17H17ClN4O.C4H4O4/c1-21-7-9-22(10-8-21)16-13-3-2-6-19-17(13)23-15-5-4-12(18)11-14(15)20-16;5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: SIEDMRDHKJJFRF-WLHGVMLRSA-N

Properties

• Boiling point: 483.3°C at 760 mmHg (Cal.)
• Flash point: 246.1°C (Cal.)