1-Methyl-3,4,6,6a-tetrahydro-1,2a,6b-triazacyclopenta[cd]pentalen-2(1H)-one
[CAS# 677321-75-4]

Identification

• Name: 1-Methyl-3,4,6,6a-tetrahydro-1,2a,6b-triazacyclopenta[cd]pentalen-2(1H)-one
• Synonyms: 4-methyl-1,2,4a,5-tetrahydro-2a,2a1,4-triazacyclopenta[cd]pentalen-3(4H)-one
• Molecular Formula: C₈H₁₁N₃O
• Molecular Weight: 165.19
• CAS Registry Number: 677321-75-4
• SMILES: CN1C2CC=C3N2N(C1=O)CC3
• InChI: 1S/C8H11N3O/c1-9-7-3-2-6-4-5-10(8(9)12)11(6)7/h2,7H,3-5H2,1H3
• InChIKey: HDJIJDWGCWUPNG-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 249.9±33.0°C at 760 mmHg (Cal.)
• Flash point: 106.4±17.7°C (Cal.)
• Refractive index: 1.695 (Cal.)