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Substance Name: Norhexobarbital
RN: 718-67-2
InChIKey: KGANTANPQNMAFV-UHFFFAOYSA-N

Note

  • Metabolite of N-methylcyclobarbital.

Molecular Formula

  • C11-H14-N2-O3

Molecular Weight

  • 222.243
 
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Names and Synonyms

Name of Substance

  • Norhexobarbital

Synonym

  • 5-(1-Cyclohexen-1-yl)-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Systematic Name

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 718-67-2

System Generated Number

  • 0000718672

Structure Descriptors

InChI

1S/C11H14N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h4,8H,1-3,5-6H2,(H2,12,13,14,15,16)

InChIKey

KGANTANPQNMAFV-UHFFFAOYSA-N

Smiles

C1CCCC=C1CC1C(=O)NC(=O)NC1=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 960 mg/L 25 EST
Vapor Pressure 6.83E-12 mm Hg 25 EST
Henry's Law Constant 3.86E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.46E-11 cm3/molecule-sec 25 EST

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