(3R)-1-azabicyclo[2.2.2]octan-3-ol hydrochloride

• ChemBase ID: 797314
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: Cl.N12CCC([C@H](C1)O)CC2
• Canonical SMILES: O[C@H]1CN2CCC1CC2.Cl
• InChI: InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H/t7-;/m0./s1
• InChIKey: OYEJRVVBERZWPD-FJXQXJEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-1-azabicyclo[2.2.2]octan-3-ol hydrochloride
• IUPAC Traditional name: (3R)-1-azabicyclo[2.2.2]octan-3-ol hydrochloride
• Synonyms: (R)-3-Quinuclidinol hydrochloride

Database IDs

• CAS Number: 42437-96-7

CALCULATED PROPERTIES

• Acid pKa: 14.57555
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.391622
• LogD (pH = 7.4): -1.8484352
• Log P: -0.14292806
• Molar Refractivity: 36.2316 cm^3
• Polarizability: 14.310322 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%