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Substance Name: 4-Hydroxyphenobarbital
RN: 379-34-0
InChIKey: IEPXMKJNWPXDBP-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-N2-O4

Molecular Weight

  • 248.2368
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxyphenobarbital

Synonyms

  • EINECS 206-831-7
  • NSC 159266
  • p-Hydroxyphenobarbital

Systematic Names

  • 5-Ethyl-5-(4'-hydroxyphenyl)barbituric acid monohydrate
  • 5-Ethyl-5-(4-hydroxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Registry Numbers

CAS Registry Number

  • 379-34-0

System Generated Number

  • 0000379340

Structure Descriptors

InChI

1S/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)

InChIKey

IEPXMKJNWPXDBP-UHFFFAOYSA-N

Smiles

CCC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.850 (none)   EST
Water Solubility 1240 mg/L 37 EXP
Atmospheric OH Rate Constant 4.59E-11 cm3/molecule-sec 25 EST

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