chempirical

Aceclidine

C9H15NO2CAS 827-61-2169.22 g/mol

Open in Covalent MOL file
OON
EsterTertiary amine

Properties

Molecular formula
C9H15NO2
Molar mass
169.22 g/mol
Exact mass
169.1103 Da
Boiling point
73–74 °C (at 0.4 Torr)
logP
0.64Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
827-61-2
SMILES
CC(=O)OC1CN2CCC1CC2
InChIKey
WRJPSSPFHGNBMG-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1-Azabicyclo[2.2.2]octan-3-ol, 3-acetate
  • 3-Quinuclidinol, acetate (ester)
  • 1-Azabicyclo[2.2.2]octan-3-ol, acetate (ester)
  • 3-Quinuclidinol, acetate
  • 3-Acetoxyquinuclidine
  • 3-Hydroxyquinuclidine acetate
  • Aceclidin
  • (±)-3-Acetoxyquinuclidine
  • 3-Quinuclidinyl acetate
  • Dl-3-Quinuclidinol acetate
  • NSC 657843
  • 1-Azabicyclo[2.2.2]octan-3-yl acetate

Work with Aceclidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

N-(1,1-Dimethyl-3-oxobutyl)-2-propenamide2873-97-4 N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-1 (2S,3As,7as)-octahydroindole-2-carboxylic acid80875-98-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook