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Substance Name: 5-Ethyl-5-isobutylbarbituric acid
RN: 1135-61-1
InChIKey: ZRIHAIZYIMGOAB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-N2-O3

Molecular Weight

  • 212.2474
 
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Names and Synonyms

Name of Substance

  • 5-Ethyl-5-isobutylbarbituric acid

Synonyms

  • 5-24-09-00164 (Beilstein Handbook Reference)
  • 5-Ethyl-5-isobutylbarbituric acid
  • BRN 0199734

Systematic Name

  • Barbituric acid, 5-ethyl-5-isobutyl-

Registry Numbers

CAS Registry Number

  • 1135-61-1

System Generated Number

  • 0001135611

Structure Descriptors

InChI

1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)

InChIKey

ZRIHAIZYIMGOAB-UHFFFAOYSA-N

Smiles

CCC(C)C1(CC)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo subcutaneous 120mg/kg (120mg/kg)   Journal of the American Chemical Society. Vol. 45, Pg. 243, 1923.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.69 (none)   EXP
Water Solubility 1.53 mg/L 20 EXP
Vapor Pressure 4.99E-11 mm Hg 25 EST
Henry's Law Constant 6.36E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.66E-11 cm3/molecule-sec 25 EST

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