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Sigma-Aldrich

3-Chloroquinuclidine hydrochloride

98%

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About This Item

Empirical Formula (Hill Notation):
C7H12ClN · HCl
CAS Number:
33601-77-3
Molecular Weight:
182.09
EC Number:
251-586-1
MDL number:
MFCD00012728
UNSPSC Code:
12352100
PubChem Substance ID:
24847656
NACRES:
NA.22

assay

98%

mp

236-239 °C (lit.)

SMILES string

Cl.ClC1CN2CCC1CC2

InChI

1S/C7H12ClN.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5H2;1H

InChI key

OOMINTVSHDCDRK-UHFFFAOYSA-N

Application

3-Chloroquinuclidine hydrochloride has been used in determination of equilibrium constants in D2O for the formation of imines/iminium ions from addition of glycine methyl ester to acetone and from addition of glycine to phenylglyoxylate by 1H-NMR analysis.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

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Juan Crugeiras et al.
Journal of the American Chemical Society, 130(6), 2041-2050 (2008-01-18)
Equilibrium constants in D2O were determined by 1H NMR analyses for formation of imines/iminium ions from addition of glycine methyl ester to acetone and from addition of glycine to phenylglyoxylate. First-order rate constants, also determined by 1H NMR, are reported

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