3-Butyl-7-[4-[4-(2-Methoxyphenyl)Piperazin-1-Yl]Butyl]-9,9-Dimethyl-3,7-Diazabicyclo[3.3.1]Nonane-2,4,6,8-Tetrone
[CAS# 107736-98-1]

Identification

• Name: 3-Butyl-7-[4-[4-(2-Methoxyphenyl)Piperazin-1-Yl]Butyl]-9,9-Dimethyl-3,7-Diazabicyclo[3.3.1]Nonane-2,4,6,8-Tetrone
• Synonyms: 3-Butyl-7-[4-[4-(2-Methoxyphenyl)-1-Piperazinyl]Butyl]-9,9-Dimethyl-3,7-Diazabicyclo[3.3.1]Nonane-2,4,6,8-Tetrone; 3-Butyl-7-[4-[4-(2-Methoxyphenyl)Piperazin-1-Yl]Butyl]-9,9-Dimethyl-3,7-Diazabicyclo[3.3.1]Nonane-2,4,6,8-Diquinone; 3,7-Diazabicyclo(3.3.1)Nonane-2,4,6,8-Tetrone, 3-Butyl-7-(4-(4-(2-Methoxyphenyl)-1-Piperazinyl)Butyl)-9,9-Dimethyl-
• Molecular Formula: C₂₈H₄₀N₄O₅
• Molecular Weight: 512.65
• CAS Registry Number: 107736-98-1
• SMILES: C4=C(N3CCN(CCCCN1C(C2C(C(C1=O)C(=O)N(C2=O)CCCC)(C)C)=O)CC3)C(=CC=C4)OC
• InChI: 1S/C28H40N4O5/c1-5-6-14-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,2)3)15-10-9-13-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-4/h7-8,11-12,22-23H,5-6,9-10,13-19H2,1-4H3
• InChIKey: BXNRTMZZILHVNJ-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 700.008°C at 760 mmHg (Cal.)
• Flash point: 377.151°C (Cal.)