6-Hydroxy-8-{4-[4-(2-Pyrimidinyl)-1-Piperazinyl]Butyl}-8-Azaspiro[4.5]Decane-7,9-Dione
[CAS# 125481-61-0]

Identification

• Name: 6-Hydroxy-8-{4-[4-(2-Pyrimidinyl)-1-Piperazinyl]Butyl}-8-Azaspiro[4.5]Decane-7,9-Dione
• Synonyms: 6-Hydroxy Buspirone; 8-Azaspiro[4.5]decane-7,9-dione,6-hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
• Molecular Formula: C₂₁H₃₁N₅O₃
• Molecular Weight: 401.50
• CAS Registry Number: 125481-61-0
• SMILES: C1CCC2(C1)CC(=O)N(C(=O)C2O)CCCCN3CCN(CC3)C4=NC=CC=N4
• InChI: 1S/C21H31N5O3/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9,18,28H,1-4,6-7,10-16H2
• InChIKey: KOZNAHJIJGCFJJ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 655.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 350.2±34.3°C (Cal.)
• Refractive index: 1.62 (Cal.)