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Substance Name: 1,3-Diethyl-8-phenylxanthine
RN: 75922-48-4
UNII: 2KCV39GKGL
InChIKey: LVSWNSHUTPWCNF-UHFFFAOYSA-N

Molecular Formula

  • C15-H16-N4-O2

Molecular Weight

  • 284.3174
 
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Names and Synonyms

Name of Substance

  • 1,3-Diethyl-8-phenylxanthine

Synonyms

  • DEPX
  • UNII-2KCV39GKGL

Systematic Name

  • 1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro-8-phenyl-

Registry Numbers

CAS Registry Number

  • 75922-48-4

FDA UNII

  • 2KCV39GKGL

System Generated Number

  • 0075922484

Structure Descriptors

InChI

1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)

InChIKey

LVSWNSHUTPWCNF-UHFFFAOYSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)c3ccccc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.93 (none)   EXP
Water Solubility 47.6 mg/L 25 EST
Vapor Pressure 8.70E-13 mm Hg 25 EST
Henry's Law Constant 2.27E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.84E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.