Chemical Properties of R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M, (HO-alkyl-) isomer-1, AC

InChI

InChI=1S/C19H27NO3/c1-4-7-17(23-15(3)21)18(20-12-5-6-13-20)19(22)16-10-8-14(2)9-11-16/h8-11,17-18H,4-7,12-13H2,1-3H3

InChI Key

YKXCOVTVNNNNMY-UHFFFAOYSA-N

Formula

C19H27NO3

SMILES

CCCC(OC(C)=O)C(C(=O)c1ccc(C)cc1)N1CCCC1

Molecular Weight¹

317.42

• 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	-4.34		Crippen Calculated Property
logPoct/wat	3.374		Crippen Calculated Property
McVol	262.940	ml/mol	McGowan Calculated Property
Inp	[2240.00; 2245.00]
Inp	2240.00		NIST
Inp	2245.00		NIST

Similar Compounds

Find more compounds similar to R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M, (HO-alkyl-) isomer-1, AC.

Sources

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

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