8-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

• ChemBase ID: 812437
• Molecular Formular: C7H16Cl2N2
• Molecular Mass: 199.12134
• Monoisotopic Mass: 198.06905388
• SMILES: Cl.Cl.C12N(C(CNC1)CC2)C
• Canonical SMILES: CN1C2CNCC1CC2.Cl.Cl
• InChI: InChI=1S/C7H14N2.2ClH/c1-9-6-2-3-7(9)5-8-4-6;;/h6-8H,2-5H2,1H3;2*1H
• InChIKey: XNZIHVKLRKGFBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
• IUPAC Traditional name: 8-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
• Synonyms: 8-METHYL-3,8-DIAZA-BICYCLO[3.2.1]OCTANE DIHYDROCHLORIDE

Database IDs

• CAS Number: 17783-50-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1992192
• LogD (pH = 7.4): -2.2698524
• Log P: 0.17957272
• Molar Refractivity: 37.6249 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%