3,8-diazabicyclo[3.2.1]octane dihydrochloride

• ChemBase ID: 289835
• Molecular Formular: C6H14Cl2N2
• Molecular Mass: 185.09476
• Monoisotopic Mass: 184.05340382
• SMILES: Cl.Cl.C12NC(CNC1)CC2
• Canonical SMILES: N1CC2CCC(C1)N2.Cl.Cl
• InChI: InChI=1S/C6H12N2.2ClH/c1-2-6-4-7-3-5(1)8-6;;/h5-8H,1-4H2;2*1H
• InChIKey: QQZDECZROKFYDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,8-diazabicyclo[3.2.1]octane dihydrochloride
• IUPAC Traditional name: 3,8-diazabicyclo[3.2.1]octane dihydrochloride
• Synonyms: 3,8-Diazabicyclo[3.2.1]octane dihydrochloride

Database IDs

• CAS Number: 90673-35-1
• PubChem SID: 180675366
• PubChem CID: 22647870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7323456
• LogD (pH = 7.4): -2.696851
• Log P: -0.20347522
• Molar Refractivity: 32.3302 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+%