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Substance Name: 3'-Hydroxypentobarbital
RN: 4241-40-1
InChIKey: XYOPMDJVSWQZTM-UHFFFAOYSA-N

Molecular Formula

  • C11-H18-N2-O4

Molecular Weight

  • 242.2732
 
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Names and Synonyms

Name of Substance

  • 3'-Hydroxypentobarbital

Synonym

  • AI3-61884

Systematic Name

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-

Registry Numbers

CAS Registry Number

  • 4241-40-1

System Generated Number

  • 0004241401

Structure Descriptors

InChI

1S/C11H18N2O4/c1-4-11(6(2)5-7(3)14)8(15)12-10(17)13-9(11)16/h6-7,14H,4-5H2,1-3H3,(H2,12,13,15,16,17)

InChIKey

XYOPMDJVSWQZTM-UHFFFAOYSA-N

Smiles

CCC1(C(C)CC(C)O)C(=O)NC(=O)NC1=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.35 (none)   EXP
Water Solubility 1.31E+04 mg/L 25 EST
Vapor Pressure 6.02E-15 mm Hg 25 EST
Henry's Law Constant 3.09E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.54E-11 cm3/molecule-sec 25 EST

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