Chemical Properties of Rotoxamine (CAS 5560-77-0)

InChI

InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3/t16-/m1/s1

InChI Key

OJFSXZCBGQGRNV-MRXNPFEDSA-N

Formula

C16H19ClN2O

SMILES

CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1

Molecular Weight¹

290.79

CAS

5560-77-0

Other Names

• Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (-)-
• l-Carbinoxamine
• Pyridine, 2-[p-chloro-«alpha»-[2-(dimethylamino)ethoxy]benzyl]-, (-)-
• ((-))-2-[p-Chloro-«alpha»-[2-(dimethylamino)ethoxy]benzyl]pyridine
• McN-R-73-Z

• 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	-3.81		Crippen Calculated Property
logPoct/wat	3.403		Crippen Calculated Property
McVol	226.850	ml/mol	McGowan Calculated Property
Inp	[2049.00; 2049.00]
Inp	2049.00		NIST
Inp	2049.00		NIST

Similar Compounds

Find more compounds similar to Rotoxamine.

Sources

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

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