Chemical Properties of 3-Quinuclidinyl benzilate (CAS 6581-06-2)

InChI

InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2

InChI Key

HGMITUYOCPPQLE-UHFFFAOYSA-N

Formula

C21H23NO3

SMILES

O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1

Molecular Weight¹

337.41

CAS

6581-06-2

Other Names

BZ
Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester
QNB
RO 2-3308
Benzilic acid, 3-quinuclidinyl ester
1-Azabicyclo(2.2.2)octan-3-ol, benzilate
3-Chinuclidylbenzilate
CS 4030
EA 2277
3-Quinuclidinol benzilate
3-Quinuclidinol, benzilate (ester)
«beta»-Quinuclidinyl benzilate
3-Hydroxyquinuclidine benzilate
3-Oxyquinuclidine benzilate
3-Quinuclidyl benzilate
Agent BZ
NSC 173698

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.
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
log₁₀WS	-3.45		Crippen Calculated Property
logP_oct/wat	2.560		Crippen Calculated Property
McVol	260.800	ml/mol	McGowan Calculated Property
I_np	[2628.00; 2628.00]
I_np	2628.00		NIST
I_np	2628.00		NIST

Similar Compounds

Find more compounds similar to 3-Quinuclidinyl benzilate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.