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Substance Name: 5-Allyl-5-butylbarbituric acid
RN: 3146-66-5
UNII: 41NVK1648Q
InChIKey: RRWVWLGUQPLOMY-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-N2-O3

Molecular Weight

  • 224.2584
 
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Names and Synonyms

Name of Substance

  • 5-Allyl-5-butylbarbituric acid

Synonyms

  • EINECS 221-562-5
  • UNII-41NVK1648Q

Systematic Name

  • 5-Allyl-5-butylbarbituric acid

Registry Numbers

CAS Registry Number

  • 3146-66-5

FDA UNII

  • 41NVK1648Q

System Generated Number

  • 0003146665

Structure Descriptors

InChI

1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4H,2-3,5-7H2,1H3,(H2,12,13,14,15,16)

InChIKey

RRWVWLGUQPLOMY-UHFFFAOYSA-N

Smiles

CCCCC1(CC=C)C(=O)NC(=O)NC1=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.31 (none)   EXP
Water Solubility 1510 mg/L 20 EXP
Vapor Pressure 1.25E-03 mm Hg 25 EST
Henry's Law Constant 8.03E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.18E-12 cm3/molecule-sec 25 EST

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