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Substance Name: N-Methylcyclobarbital
RN: 726-78-3
InChIKey: WPRPRRYHBBCMLM-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-N2-O3

Molecular Weight

  • 250.2962
 
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Names and Synonyms

Name of Substance

  • N-Methylcyclobarbital

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 726-78-3

System Generated Number

  • 0000726783

Structure Descriptors

InChI

1S/C13H18N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h7H,3-6,8H2,1-2H3,(H,14,16,18)

InChIKey

WPRPRRYHBBCMLM-UHFFFAOYSA-N

Smiles

CCC1(C(=O)NC(=O)N(C)C1=O)C2=CCCCC2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.25 (none)   EXP
Water Solubility 282 mg/L 25 EST
Vapor Pressure 1.35E-11 mm Hg 25 EST
Henry's Law Constant 1.13E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.84E-11 cm3/molecule-sec 25 EST

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