Chemical Properties of 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)- (CAS 28822-58-4)

1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChI Key
APIXJSLKIYYUKG-UHFFFAOYSA-N
Formula
C10H14N4O2
SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21
Molecular Weight1
222.24
CAS
28822-58-4
Other Names
  • IBMX
  • IMX
  • Isobutylmethylxanthine
  • 3-Isobutyl-1-methylxanthine
  • Methylisobutylxanthine
  • 1-Methyl-3-isobutylxanthine
  • SC 2964
  • Xanthine, 3-Isobutyl-1-methyl-
  • 3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
  • Xanthine, 1-methyl-3-(2-methylpropyl)
  • NSC 165960
  • 3,7-dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione

Physical Properties

Property Value Unit Source
log10WS -3.25 Crippen Calculated Property
logPoct/wat -0.403 Crippen Calculated Property
McVol 164.500 ml/mol McGowan Calculated Property
Inp [2150.00; 2150.00]   Show Hide
Inp 2150.00 NIST
Inp 2150.00 NIST
Inp 2150.00 NIST

Similar Compounds

Paraxanthine, n-propyl derivative. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. Carteolol hydroxy, acetylated. Adenosine, 2'-deoxy-N-(trimethylsilyl)-3'-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester.

Find more compounds similar to 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-.

Sources

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.