Chemical Properties of 3-Quinuclidinol (CAS 1619-34-7)

InChI

InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2

InChI Key

IVLICPVPXWEGCA-UHFFFAOYSA-N

Formula

C7H13NO

SMILES

OC1CN2CCC1CC2

Molecular Weight¹

127.18

CAS

1619-34-7

Other Names

• 1-Azabicyclo[2.2.2]octan-3-ol
• Quinuclidinol
• 3-Hydroxyquinuclidine
• Quinuclidinol-3
• 3-Hydroxy-1-azabicyclo[2.2.2]octane
• Quinuclidine-3-ol
• Quinuclidin-3-ol
• NSC 93905

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.10	eV	NIST
log10WS	-0.25		Crippen Calculated Property
logPoct/wat	0.073		Crippen Calculated Property
McVol	103.620	ml/mol	McGowan Calculated Property
Inp	[1152.00; 1162.00]
Inp	1152.00		NIST
Inp	1162.00		NIST
I	[1936.20; 2001.00]
I	1985.00		NIST
I	2001.00		NIST
I	1936.20		NIST
I	1985.00		NIST

Similar Compounds

Find more compounds similar to 3-Quinuclidinol.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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