Chemical Properties of Butalamine (CAS 22131-35-7)

InChI

InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)

InChI Key

VYWQZAARVNRSTR-UHFFFAOYSA-N

Formula

C18H28N4O

SMILES

CCCCN(CCCC)CCNc1nc(-c2ccccc2)no1

Molecular Weight¹

316.44

CAS

22131-35-7

Other Names

• 1,2-Ethanediamine, N,N-dibutyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)-
• 5-([2-(Dibutylamino)ethyl]amino)-3-phenyl-1,2,4-oxadiazole
• N,N-Dibutyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2-ethanediamine

• 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	-9.69		Crippen Calculated Property
logPoct/wat	4.051		Crippen Calculated Property
McVol	267.050	ml/mol	McGowan Calculated Property
Inp	[2450.00; 2490.00]
Inp	2457.00		NIST
Inp	2450.00		NIST
Inp	2450.00		NIST
Inp	2490.00		NIST
Inp	2450.00		NIST
Inp	2490.00		NIST
Inp	2457.00		NIST

Similar Compounds

Find more compounds similar to Butalamine.

Sources

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

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