Chemical Properties of Benzeneacetic acid, «alpha»-hydroxy-, 1,2,2,6-tetramethyl-4-piperidinyl ester (CAS 100-91-4)

InChI

InChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3

InChI Key

QSAVEGSLJISCDF-UHFFFAOYSA-N

Formula

C17H25NO3

SMILES

CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C

Molecular Weight¹

291.39

CAS

100-91-4

Other Names

• Eucatropine
• 1,2,2,6-Tetramethyl-4-piperidyl mandelate
• Euphthalmine

• 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.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	2.524		Crippen Calculated Property
McVol	239.060	ml/mol	McGowan Calculated Property
Inp	[2026.00; 2026.00]
Inp	2026.00		NIST
Inp	2026.00		NIST

Similar Compounds

Find more compounds similar to Benzeneacetic acid, «alpha»-hydroxy-, 1,2,2,6-tetramethyl-4-piperidinyl ester.

Sources

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

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.