4,7-diazaspiro[2.5]octane dihydrochloride

• ChemBase ID: 288794
• Molecular Formular: C6H14Cl2N2
• Molecular Mass: 185.09476
• Monoisotopic Mass: 184.05340382
• SMILES: Cl.Cl.C1CC21CNCCN2
• Canonical SMILES: C1CNC2(CN1)CC2.Cl.Cl
• InChI: InChI=1S/C6H12N2.2ClH/c1-2-6(1)5-7-3-4-8-6;;/h7-8H,1-5H2;2*1H
• InChIKey: MWCKCAQLDIGIMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-diazaspiro[2.5]octane dihydrochloride
• IUPAC Traditional name: 4,7-diazaspiro[2.5]octane dihydrochloride
• Synonyms: 4,7-Diaza-spiro[2.5]octane dihydrochloride

Database IDs

• CAS Number: 145122-56-1
• MDL Number: MFCD11506235
• PubChem SID: 180674325
• PubChem CID: 56973368

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6716444
• LogD (pH = 7.4): -2.4496274
• Log P: -0.33947358
• 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

PROPERTIES

Product Information

• Purity: 95+%