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Substance Name: 1-Methyl barbituric acid
RN: 2565-47-1
InChIKey: DCGGMHIZEAHUJL-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-N2-O3

Molecular Weight

  • 142.113
 
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Names and Synonyms

Name of Substance

  • 1-Methyl barbituric acid

Synonyms

  • EINECS 219-894-0
  • NSC 81440

Systematic Name

  • 1-Methylbarbituric acid

Registry Numbers

CAS Registry Number

  • 2565-47-1

System Generated Number

  • 0002565471

Structure Descriptors

InChI

1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)

InChIKey

DCGGMHIZEAHUJL-UHFFFAOYSA-N

Smiles

O=C1NC(=O)N(C)C(=O)C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.35 (none) 25 EXP
log P (octanol-water) -0.85 (none)   EXP
Water Solubility 4.37E+05 mg/L 25 EST
Vapor Pressure 9.45E-09 mm Hg 25 EST
Henry's Law Constant 2.55E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.08E-12 cm3/molecule-sec 25 EST

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