3-Quinuclidone hydrochloride

C₇H₁₂ClNOCAS 1193-65-3161.63 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₇H₁₂ClNO
Molar mass: 161.63 g/mol
Exact mass: 161.0607 Da
Melting point: 294–295 °C (decomposes)
logP: 0.70Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

H411 Toxic to aquatic life with long lasting effects88.9% of notifiers

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

1193-65-3

SMILES

Cl.O=C1CN2CCC1CC2

InChIKey

RFDPHKHXPMDJJD-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H

Weigh it out

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

Names and synonyms

5 names

1-Azabicyclo[2.2.2]octan-3-one, hydrochloride (1:1)
3-Quinuclidinone, hydrochloride
1-Azabicyclo[2.2.2]octan-3-one, hydrochloride
3-Oxoquinuclidine hydrochloride
Quinuclidinone hydrochloride

Reactions

3-QUINUCLIDONE HYDROCHLORIDE (3-Quinuclidinone, hydrochloride)product

Work with 3-Quinuclidone hydrochloride

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

Similar compounds

1-Methylisonipecotic acid hydrochloride71985-80-337 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-035 % similar 2-[(Dimethylamino)methyl]cyclohexanone hydrochloride42036-65-735 % similar 1-(Cyclopropylcarbonyl)piperazine Hydrochloride1021298-67-834 % similar 3-Cyclopropyl-3-oxopropanenitrile118431-88-231 % similar (2A,6A,8A,9Ab)-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one115956-07-531 % similar (S)-3-Aminoquinuclidine dihydrochloride119904-90-430 % similar (R)-(+)-3-Aminoquinuclidine dihydrochloride123536-14-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-1-(1-piperidinyl)ethanone1440-60-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook