4,7-diazaspiro[2.5]octane

• ChemBase ID: 807759
• Molecular Formular: C6H12N2
• Molecular Mass: 112.17288
• Monoisotopic Mass: 112.10004839
• SMILES: C1CC21NCCNC2
• Canonical SMILES: C1CNC2(CN1)CC2
• InChI: InChI=1S/C6H12N2/c1-2-6(1)5-7-3-4-8-6/h7-8H,1-5H2
• InChIKey: RLPYXXBIHMUZRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-diazaspiro[2.5]octane
• IUPAC Traditional name: 4,7-diazaspiro[2.5]octane
• Synonyms: 4,7-DIAZASPIRO[2.5]OCTANE

Database IDs

• CAS Number: 145122-56-1

CALCULATED PROPERTIES

• Molar Refractivity: 32.5496 cm^3
• Polarizability: 13.381781 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6716444
• LogD (pH = 7.4): -2.4496274
• Log P: -0.33947358

PROPERTIES

Product Information

• Purity: 98%