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Substance Name: 3,7-Dimethyluric acid
RN: 13087-49-5
UNII: LR195N9E9A
InChIKey: HMLZLHKHNBLLJD-UHFFFAOYSA-N

Molecular Weight

  • 196.1652
 
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Names and Synonyms

Name of Substance

  • 3,7-Dimethyluric acid

Synonyms

  • 3,7-Dmu
  • UNII-LR195N9E9A

Systematic Name

  • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-3,7-dimethyl-

Registry Numbers

CAS Registry Number

  • 13087-49-5

FDA UNII

  • LR195N9E9A

System Generated Number

  • 0013087495

Structure Descriptors

InChI

1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)

InChIKey

HMLZLHKHNBLLJD-UHFFFAOYSA-N

Smiles

n1(c([nH]c2n(c([nH]c(c12)=O)=O)C)=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 5.5 (none)   EXP
log P (octanol-water) -1.33E+00 (none)   EXP
Water Solubility 3.06E+04 mg/L 25 EST
Vapor Pressure 1.77E-10 mm Hg 25 EST
Henry's Law Constant 5.77E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.34E-11 cm3/molecule-sec 25 EST

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