2,9-Diethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-5-one
[CAS# 625105-60-4]

Identification

• Name: 2,9-Diethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-5-one
• Synonyms: 2,9-diethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-5-one
• Molecular Formula: C₁₂H₁₇N₃O
• Molecular Weight: 219.28
• CAS Registry Number: 625105-60-4
• SMILES: CCc1ncc2c(n1)N(CCCC2=O)CC
• InChI: 1S/C12H17N3O/c1-3-11-13-8-9-10(16)6-5-7-15(4-2)12(9)14-11/h8H,3-7H2,1-2H3
• InChIKey: YYFUGSQVRQIORT-UHFFFAOYSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 360.727°C at 760 mmHg (Cal.)
• Flash point: 171.962°C (Cal.)
• Refractive index: 1.535 (Cal.)