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Substance Name: Murexide
RN: 3051-09-0
UNII: 4W6L62S876
InChIKey: LJYRLGOJYKPILZ-UHFFFAOYSA-N

Note

  • 5,5'-Nitrilodibarbituric acid ammonium derivative. Used as an indicator for complexometric titrations.

Molecular Formula

  • C8-H5-N5-O6.H3-N

Molecular Weight

  • 284.1872
 

Classification Code

  • Indicators and Reagents
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Names and Synonyms

Name of Substance

  • Murexide

MeSH Heading

  • Murexide

Synonyms

  • Ammonium purpurate
  • Ammonium salt purpuric acid
  • EINECS 221-266-6
  • Murexide
  • NSC 215208
  • UNII-4W6L62S876

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino)-, ammonium salt (1:1)
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino)-, monoammonium salt
  • Ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate
  • Barbituric acid, 5,5'-nitrilodi-, monoammonium salt (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 3051-09-0

FDA UNII

  • 4W6L62S876

Other Registry Numbers

  • 1059626-26-4
  • 134-02-1
  • 410097-48-2
  • 463929-80-8

System Generated Number

  • 0003051090

Molecular Formulas

Molecular Formula

  • C8-H5-N5-O6.H3-N

Molecular Formula Fragments

  • C8-H5-N5-O6
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h(H2,10,11,14,15,18)(H3,12,13,16,17,19);1H3

InChIKey

LJYRLGOJYKPILZ-UHFFFAOYSA-N

Smiles

[NH4+].[O-]C1=C(N=C2C(=O)NC(=O)NC2=O)C(=O)NC(=O)N1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -3.970 (none)   EST
Atmospheric OH Rate Constant 1.14E-11 cm3/molecule-sec 25 EST

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