Chemical Properties of Acefylline Piperazine (CAS 18833-13-1)

InChI

InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)

InChI Key

HCYFGRCYSCXKNQ-UHFFFAOYSA-N

Formula

C9H10N4O4

SMILES

Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O

Molecular Weight¹

238.20

CAS

18833-13-1

Other Names

• Acepifylline
• 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid, compound with piperazine (2:1)

• 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	-3.82		Crippen Calculated Property
logPoct/wat	-1.482		Crippen Calculated Property
McVol	157.850	ml/mol	McGowan Calculated Property
Inp	[1000.00; 1000.00]
Inp	1000.00		NIST
Inp	1000.00		NIST

Similar Compounds

Find more compounds similar to Acefylline Piperazine.

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.