2,3-Diamino-6,8-dimethyl-1,5-diphenyl-2,4,6,8-tetrazabicyclo[3.3.0]oct-3-en-7-one
[CAS# 6093-74-9]

Identification

• Name: 2,3-Diamino-6,8-dimethyl-1,5-diphenyl-2,4,6,8-tetrazabicyclo[3.3.0]oct-3-en-7-one
• Synonyms: 5,6-Diamino-1,3-Dimethyl-3A,6A-Di(Phenyl)-2-Imidazo[5,4-D]Imidazolone; Cbmicro_031081; Mixcom6_001385
• Molecular Formula: C₁₈H₂₀N₆O
• Molecular Weight: 336.40
• CAS Registry Number: 6093-74-9
• SMILES: C4=C(C12N(C(=O)N(C1(N=C(N2N)N)C3=CC=CC=C3)C)C)C=CC=C4
• InChI: 1S/C18H20N6O/c1-22-16(25)23(2)18(14-11-7-4-8-12-14)17(22,21-15(19)24(18)20)13-9-5-3-6-10-13/h3-12H,20H2,1-2H3,(H2,19,21)
• InChIKey: AWNZZCYMJHJGTF-UHFFFAOYSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 540.656°C at 760 mmHg (Cal.)
• Flash point: 280.779°C (Cal.)