1-[3-(2-Methyl-2-Propanyl)-1H-1,2,4-Triazol-1-Yl]-1-Propanone
[CAS# 132408-63-0]

Identification

• Name: 1-[3-(2-Methyl-2-Propanyl)-1H-1,2,4-Triazol-1-Yl]-1-Propanone
• Synonyms: 1-(3-(tert-butyl)-1H-1,2,4-triazol-1-yl)propan-1-one
• Molecular Formula: C₉H₁₅N₃O
• Molecular Weight: 181.23
• CAS Registry Number: 132408-63-0
• SMILES: CCC(=O)n1cnc(n1)C(C)(C)C
• InChI: 1S/C9H15N3O/c1-5-7(13)12-6-10-8(11-12)9(2,3)4/h6H,5H2,1-4H3
• InChIKey: YCYJZABIYWDBJU-UHFFFAOYSA-N

Properties

• Density: 1.077g/cm³ (Cal.)
• Boiling point: 301.551°C at 760 mmHg (Cal.)
• Flash point: 136.174°C (Cal.)
• Refractive index: 1.532 (Cal.)