6,9-diazaspiro[4.5]decane dihydrochloride

• ChemBase ID: 801068
• Molecular Formular: C8H18Cl2N2
• Molecular Mass: 213.14792
• Monoisotopic Mass: 212.08470395
• SMILES: Cl.Cl.C1CCCC21NCCNC2
• Canonical SMILES: C1CNC2(CN1)CCCC2.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c1-2-4-8(3-1)7-9-5-6-10-8;;/h9-10H,1-7H2;2*1H
• InChIKey: DXSGNKYVWDGHOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-diazaspiro[4.5]decane dihydrochloride
• IUPAC Traditional name: 6,9-diazaspiro[4.5]decane dihydrochloride
• Synonyms: 6,9-Diaza-spiro[4.5]decane dihydrochloride

Database IDs

• CAS Number: 145122-55-0

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

Product Information

• Purity: 97%