2-[(3aR,6aS)-1,3-Dimethyl-2,5-Dioxo-4,6a-Dihydro-3aH-Imidazo[5,4-d]Imidazol-6-Yl]Acetic acid
[CAS# 343768-54-7]

Identification

• Name: 2-[(3aR,6aS)-1,3-Dimethyl-2,5-Dioxo-4,6a-Dihydro-3aH-Imidazo[5,4-d]Imidazol-6-Yl]Acetic acid
• Synonyms: 2-[(3Ar,6As)-2,5-Diketo-1,3-Dimethyl-4,6A-Dihydro-3Ah-Imidazo[5,4-D]Imidazol-6-Yl]Acetate; 2-[(3Ar,6As)-1,3-Dimethyl-2,5-Dioxo-4,6A-Dihydro-3Ah-Imidazo[5,4-D]Imidazol-6-Yl]Ethanoate; Zinc00356433
• Molecular Formula: C₈H₁₁N₄O₄
• Molecular Weight: 227.20
• CAS Registry Number: 343768-54-7
• SMILES: [C@H]12N(C(=O)N[C@@H]1N(C(=O)N2C)C)CC([O-])=O
• InChI: 1S/C8H12N4O4/c1-10-5-6(11(2)8(10)16)12(3-4(13)14)7(15)9-5/h5-6H,3H2,1-2H3,(H,9,15)(H,13,14)/p-1/t5-,6+/m1/s1
• InChIKey: PPMXHIAQRHEMAT-RITPCOANSA-M

Properties

• Boiling point: 600.796°C at 760 mmHg (Cal.)
• Flash point: 317.15°C (Cal.)