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Substance Name: 5-Butyl barbituric acid
RN: 1953-33-9
UNII: B0Z1Q56YCM
InChIKey: HTKIZIQFMHVTRJ-UHFFFAOYSA-N

Molecular Formula

  • C8-H12-N2-O3

Molecular Weight

  • 184.194
 
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Names and Synonyms

Name of Substance

  • 5-Butyl barbituric acid

Synonyms

  • 5-Butylbarbituric acid
  • EINECS 217-781-0
  • NSC 120724
  • NSC 32314
  • UNII-B0Z1Q56YCM

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-
  • 5-Butyl-1H,3H,5H-pyrimidine-2,4,6-trione
  • Barbituric acid, 5-butyl- (8CI)

Registry Numbers

CAS Registry Number

  • 1953-33-9

FDA UNII

  • B0Z1Q56YCM

Other Registry Numbers

  • 324056-09-9
  • 901378-05-0

System Generated Number

  • 0001953339

Structure Descriptors

InChI

1S/C8H12N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h5H,2-4H2,1H3,(H2,9,10,11,12,13)

InChIKey

HTKIZIQFMHVTRJ-UHFFFAOYSA-N

Smiles

O=C1NC(=O)NC(=O)C1CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.77 (none)   EXP
Water Solubility 1.16E+04 mg/L 25 EST
Vapor Pressure 1.03E-10 mm Hg 25 EST
Henry's Law Constant 3.61E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-11 cm3/molecule-sec 25 EST

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