6,9-diazaspiro[4.5]decane

• ChemBase ID: 116970
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1C2(CNCC1)CCCC2
• Canonical SMILES: C1CNC2(CN1)CCCC2
• InChI: InChI=1S/C8H16N2/c1-2-4-8(3-1)7-9-5-6-10-8/h9-10H,1-7H2
• InChIKey: IAKQYJGYZJGWLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-diazaspiro[4.5]decane
• IUPAC Traditional name: 6,9-diazaspiro[4.5]decane
• Synonyms: 6,9-diazaspiro[4.5]decane; 6,9-DIAZA-SPIRO[4.5]DECANE

Database IDs

• CAS Number: 177-19-5
• MDL Number: MFCD07373057
• PubChem SID: 162101925
• PubChem CID: 18975279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9700186
• LogD (pH = 7.4): -1.8324625
• Log P: 0.5496637
• Molar Refractivity: 41.7516 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.759

Product Information

• Purity: 95+%; 98%