5-Tert-Butyl-1,3,5-Triazinan-2-One
[CAS# 104768-86-7]

Identification

• Name: 5-Tert-Butyl-1,3,5-Triazinan-2-One
• Synonyms: 5-(tert-butyl)-1,3,5-triazinan-2-one; 5-tert-butyl tetrahydro-1,3,5-triazin-2(1H)-one
• Molecular Formula: C₇H₁₅N₃O
• Molecular Weight: 157.21
• CAS Registry Number: 104768-86-7
• SMILES: O=C1NCN(C(C)(C)C)CN1
• InChI: 1S/C7H15N3O/c1-7(2,3)10-4-8-6(11)9-5-10/h4-5H2,1-3H3,(H2,8,9,11)
• InChIKey: BTDCDPWYSVPDEX-UHFFFAOYSA-N

Properties

• Density: 1.032g/cm³ (Cal.)
• Boiling point: 320.446°C at 760 mmHg (Cal.)
• Flash point: 147.601°C (Cal.)
• Refractive index: 1.469 (Cal.)

References

• (1): Michael F. Geer, Mark D. Smith and Linda S. Shimizu. A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas, CrystEngComm, 2011, 13, 3665.