(6S)-3-[(Z)-[2-(3-Methyl-2-Butenyl)-1H-Imidazol-4-Yl]Methylene]-6alpha-(1-Methylethyl)Piperazine-2,5-Dione
[CAS# 67603-38-7]

Identification

• Name: (6S)-3-[(Z)-[2-(3-Methyl-2-Butenyl)-1H-Imidazol-4-Yl]Methylene]-6alpha-(1-Methylethyl)Piperazine-2,5-Dione
• Synonyms: (3S,6Z)-3-Isopropyl-6-[[2-(3-Methylbut-2-Enyl)-3H-Imidazol-4-Yl]Methylene]Piperazine-2,5-Dione; (3S,6Z)-3-Isopropyl-6-[[2-(3-Methylbut-2-Enyl)-3H-Imidazol-4-Yl]Methylene]Piperazine-2,5-Quinone; (3Z,6S)-3-[[2-(3-Methylbut-2-Enyl)-3H-Imidazol-4-Yl]Methylidene]-6-Propan-2-Yl-Piperazine-2,5-Dione
• Molecular Formula: C₁₆H₂₂N₄O₂
• Molecular Weight: 302.38
• CAS Registry Number: 67603-38-7
• SMILES: [C@H]1(NC(=O)\C(NC1=O)=C\C2=CN=C([NH]2)CC=C(C)C)C(C)C
• InChI: 1S/C16H22N4O2/c1-9(2)5-6-13-17-8-11(18-13)7-12-15(21)20-14(10(3)4)16(22)19-12/h5,7-8,10,14H,6H2,1-4H3,(H,17,18)(H,19,22)(H,20,21)/b12-7-/t14-/m0/s1
• InChIKey: CQRQHABGNBHMFC-VDBIKXPHSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 685.557°C at 760 mmHg (Cal.)
• Flash point: 368.412°C (Cal.)