3S-trans)-Hexahydro-3-isobutylpyrrolo(1,2-a)pyrazine-1,4-dione
[CAS# 5654-86-4]

Identification

• Name: 3S-trans)-Hexahydro-3-isobutylpyrrolo(1,2-a)pyrazine-1,4-dione
• Synonyms: 3-Isobutyl-2,3,6,7,8,8A-Hexahydropyrrolo[2,1-F]Pyrazine-1,4-Dione; 3-Isobutyl-2,3,6,7,8,8A-Hexahydropyrrolo[2,1-F]Pyrazine-1,4-Quinone; Acon0_000484
• Molecular Formula: C₁₁H₁₈N₂O₂
• Molecular Weight: 210.28
• CAS Registry Number: 5654-86-4
• SMILES: C(C1NC(=O)C2N(C1=O)CCC2)C(C)C
• InChI: 1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
• InChIKey: SZJNCZMRZAUNQT-UHFFFAOYSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 427.592°C at 760 mmHg (Cal.)
• Flash point: 212.4°C (Cal.)