1,3-diazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 73964
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: N1C(=O)NC(=O)C21CCCCC2
• Canonical SMILES: O=C1NC(=O)NC21CCCCC2
• InChI: InChI=1S/C8H12N2O2/c11-6-8(10-7(12)9-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11,12)
• InChIKey: NERNEXMEYQFFHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 1,3-Diazaspiro[4.5]decane-2,4-dione

Database IDs

• CAS Number: 702-62-5
• MDL Number: MFCD00022404
• PubChem SID: 162038883
• PubChem CID: 12799

CALCULATED PROPERTIES

• Acid pKa: 10.187368
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5771884
• LogD (pH = 7.4): 0.57649726
• Log P: 0.5771972
• Molar Refractivity: 42.1001 cm^3
• Polarizability: 16.48656 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218-220°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%