1-azabicyclo[2.2.2]octan-3-yl acetate hydrochloride

• ChemBase ID: 313082
• Molecular Formular: C9H16ClNO2
• Molecular Mass: 205.68184
• Monoisotopic Mass: 205.08695644
• SMILES: CC(=O)OC1CN2CC[C@@H]1CC2.Cl
• Canonical SMILES: CC(=O)OC1CN2CC[C@H]1CC2.Cl
• InChI: InChI=1S/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;/h8-9H,2-6H2,1H3;1H
• InChIKey: LWWSARSTZGNKGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azabicyclo[2.2.2]octan-3-yl acetate hydrochloride
• IUPAC Traditional name: aceclidine hydrochloride
• Synonyms: Aceclidine Hydrochloride; Aceclidine HCl

Database IDs

• CAS Number: 56715-13-0; 6109-70-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.9803638
• LogD (pH = 7.4): -1.4757626
• Log P: 0.29819736
• Molar Refractivity: 45.3831 cm^3
• Polarizability: 18.148947 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: HCl; Hydrochloride