6,9-diazaspiro[4.5]decan-10-one

• ChemBase ID: 123460
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: C1(=O)C2(NCCN1)CCCC2
• Canonical SMILES: O=C1NCCNC21CCCC2
• InChI: InChI=1S/C8H14N2O/c11-7-8(3-1-2-4-8)10-6-5-9-7/h10H,1-6H2,(H,9,11)
• InChIKey: HOOFQCLLFLKXDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-diazaspiro[4.5]decan-10-one
• IUPAC Traditional name: 6,9-diazaspiro[4.5]decan-10-one
• Synonyms: 6,9-diazaspiro[4.5]decan-10-one

Database IDs

• CAS Number: 1664-33-1
• MDL Number: MFCD07373480
• PubChem SID: 162217813
• PubChem CID: 39044406

CALCULATED PROPERTIES

• Acid pKa: 14.444484
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8152268
• LogD (pH = 7.4): -0.21063706
• Log P: 0.11316236
• Molar Refractivity: 41.9809 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%