1-Benzyl-3-Methylpiperazine (2E)-2-Butenedioate (1:1)
[CAS# 290313-44-9]

Identification

• Name: 1-Benzyl-3-Methylpiperazine (2E)-2-Butenedioate (1:1)
• Synonyms: (2E)-but-2-enedioic acid; 1-benzyl-3-methylpiperazine; 1-Benzyl-3-methyl-piperazine monofumarate
• Molecular Formula: C₁₆H₂₂N₂O₄
• Molecular Weight: 306.36
• CAS Registry Number: 290313-44-9
• SMILES: O=C(O)\C=C\C(=O)O.c1c(cccc1)CN2CC(NCC2)C
• InChI: 1S/C12H18N2.C4H4O4/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12;5-3(6)1-2-4(7)8/h2-6,11,13H,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: CYIVWNBHIITDIQ-WLHGVMLRSA-N

Properties

• Boiling point: 509°C at 760 mmHg (Cal.)
• Flash point: 261.6°C (Cal.)
• Refractive index: (Cal.)