2-Methyl-2-propanyl 3-(1,3-benzodioxol-5-yl)-1-piperazinecarboxylate
[CAS# 886769-95-5]

Identification

• Name: 2-Methyl-2-propanyl 3-(1,3-benzodioxol-5-yl)-1-piperazinecarboxylate
• Synonyms: 1-BOC-3-(BENZO[D][1,3]DIOXOL-5-YL)PIPERAZINE; 1-PIPERAZINECARBOXYLICACID, 3-(1,3-BENZODIOXOL-5-YL)-, 1,1-DIMETHYLETHYL ESTER; 3-benzo[1,3]dioxol-5-yl-piperazine-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₆H₂₂N₂O₄
• Molecular Weight: 306.36
• CAS Registry Number: 886769-95-5
• SMILES: CC(C)(C)OC(=O)N1CCNC(C1)c2ccc3c(c2)OCO3
• InChI: 1S/C16H22N2O4/c1-16(2,3)22-15(19)18-7-6-17-12(9-18)11-4-5-13-14(8-11)21-10-20-13/h4-5,8,12,17H,6-7,9-10H2,1-3H3
• InChIKey: XLPLNERULMLZNH-UHFFFAOYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 418.142°C at 760 mmHg (Cal.)
• Flash point: 206.685°C (Cal.)
• Refractive index: 1.543 (Cal.)