5,9,10-Trimethyl-2,6-Diazabicyclo[5.4.0]Undeca-5,8,10,12-Tetraen-3-One
[CAS# 57460-54-5]

Identification

• Name: 5,9,10-Trimethyl-2,6-Diazabicyclo[5.4.0]Undeca-5,8,10,12-Tetraen-3-One
• Synonyms: Zinc00240457; Oprea1_338956; 4,7,8-Trimethyl-1,3-Dihydro-Benzo[B][1,4]Diazepin-2-One
• Molecular Formula: C₁₂H₁₄N₂O
• Molecular Weight: 202.26
• CAS Registry Number: 57460-54-5
• SMILES: C1=C2C(=CC(=C1C)C)NC(=O)CC(=N2)C
• InChI: 1S/C12H14N2O/c1-7-4-10-11(5-8(7)2)14-12(15)6-9(3)13-10/h4-5H,6H2,1-3H3,(H,14,15)
• InChIKey: IDDCWQJUWJCXKM-UHFFFAOYSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 398.145°C at 760 mmHg (Cal.)
• Flash point: 194.591°C (Cal.)