2-Methyl-2-propanyl 4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperazinecarboxylate
[CAS# 904816-91-7]

Identification

• Name: 2-Methyl-2-propanyl 4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperazinecarboxylate
• Synonyms: 4-[1,2,4]Triazol-1-ylmethyl-piperazine-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₂H₂₁N₅O₂
• Molecular Weight: 267.33
• CAS Registry Number: 904816-91-7
• SMILES: CC(C)(C)OC(=O)N1CCN(CC1)Cn2cncn2
• InChI: 1S/C12H21N5O2/c1-12(2,3)19-11(18)16-6-4-15(5-7-16)10-17-9-13-8-14-17/h8-9H,4-7,10H2,1-3H3
• InChIKey: RLXVCEBPWOADHO-UHFFFAOYSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 397.216°C at 760 mmHg (Cal.)
• Flash point: 194.03°C (Cal.)
• Refractive index: 1.586 (Cal.)