alpha-Phenyl-N,N,4-Trimethyl-1-Piperazinepropanamine (Z)-2-Butenedioate (1:3)
[CAS# 81402-48-4]

Identification

• Name: alpha-Phenyl-N,N,4-Trimethyl-1-Piperazinepropanamine (Z)-2-Butenedioate (1:3)
• Synonyms: But-2-Enedioic Acid; N,N-Dimethyl-3-(4-Methylpiperazin-1-Yl)-1-Phenyl-Propan-1-Amine; But-2-Enedioic Acid; N,N-Dimethyl-3-(4-Methyl-1-Piperazinyl)-1-Phenylpropan-1-Amine; But-2-Enedioic Acid; Dimethyl-[3-(4-Methylpiperazin-1-Yl)-1-Phenyl-Propyl]Amine
• Molecular Formula: C₂₈H₃₉N₃O₁₂
• Molecular Weight: 609.63
• CAS Registry Number: 81402-48-4
• SMILES: C2N(CCC(N(C)C)C1=CC=CC=C1)CCN(C2)C.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C16H27N3.3C4H4O4/c1-17(2)16(15-7-5-4-6-8-15)9-10-19-13-11-18(3)12-14-19;3*5-3(6)1-2-4(7)8/h4-8,16H,9-14H2,1-3H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1+
• InChIKey: VETUAKXICZAPTN-LDFLFNBESA-N

Properties

• Boiling point: 355°C at 760 mmHg (Cal.)
• Flash point: 166.1°C (Cal.)