Chemical Properties of 4-Chloro-1-azabicyclo[2.2.2]octane (CAS 5960-95-2)

4-Chloro-1-azabicyclo[2.2.2]octane

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InChI
InChI=1S/C7H12ClN/c8-7-1-4-9(5-2-7)6-3-7/h1-6H2
InChI Key
CHAXYLNTCZVHBJ-UHFFFAOYSA-N
Formula
C7H12ClN
SMILES
ClC12CCN(CC1)CC2
Molecular Weight1
145.63
CAS
5960-95-2
Other Names
  • 1-Azabicyclo[2.2.2]octane,4-chloro-
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Physical Properties

Property Value Unit Source
PAff 949.40 kJ/mol NIST
BasG 918.60 kJ/mol NIST
IE 8.55 ± 0.01 eV NIST
log10WS -1.38 Crippen Calculated Property
logPoct/wat 1.463 Crippen Calculated Property
McVol 109.990 ml/mol McGowan Calculated Property

Similar Compounds

1-Azabicyclo[2.2.2]octane, 4-methyl-. 1-Azabicyclo[2.2.2]octane, 4-ethyl-. Quinuclidine. Piperidine, 1-ethyl-4-methyl. Piperidine, 1-butyl-4-methyl. Piperidine, 4-methyl-1-pentyl. Piperidine, 1,4-dimethyl-. Piperidine, 4-methyl-1-propyl. Piperidine, 1-hexyl-4-methyl. Piperidine, 1-heptyl-4-methyl. 4,4'-Trimethylenebis(1-methylpiperidine). 1-Isopentyl-piperidine. 1-Azabicyclo[2.2.2]octan-4-ol. 3-Chloro-1-azabicyclo[2.2.2]octane. 1-azabicyclo[2.2.1]heptane.

Find more compounds similar to 4-Chloro-1-azabicyclo[2.2.2]octane.

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