Chemical Properties of Primaquine (CAS 90-34-6)

InChI

InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3

InChI Key

INDBQLZJXZLFIT-UHFFFAOYSA-N

Formula

C15H21N3O

SMILES

COc1cc(NC(C)CCCN)c2ncccc2c1

Molecular Weight¹

259.35

CAS

90-34-6

Other Names

• 1,4-Pentanediamine, N(4)-(6-methoxy-8-quinolinyl)-
• Neo-Quipenyl
• Primachin
• Quinoline, 8-((4-amino-1-methylbutyl)amino)-6-methoxy-
• S. N. 13272
• SN 13,272
• 6-Methoxy-8-((4-amino-1-methylbutyl)amino)quinoline
• 8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline
• dl-Primaquine
• NSC 27296
• WR 2975
• Primaquin

• 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	-4.39		Crippen Calculated Property
logPoct/wat	2.783		Crippen Calculated Property
McVol	214.800	ml/mol	McGowan Calculated Property
Inp	[2314.00; 2315.00]
Inp	2315.00		NIST
Inp	2314.00		NIST
Inp	2315.00		NIST
Inp	2314.00		NIST

Similar Compounds

Find more compounds similar to Primaquine.

Sources

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

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