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Substance Name: Brallobarbital [INN]
RN: 561-86-4
UNII: D0N7A2M3MU
InChIKey: DYODAJAEQDVYFX-UHFFFAOYSA-N

Molecular Formula

  • C10-H11-Br-N2-O3

Molecular Weight

  • 287.1119
 
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Names and Synonyms

Name of Substance

  • Brallobarbital
  • Brallobarbital [INN]

Synonyms

  • 5-Allyl-5-(2-bromoallyl)barbitursaeure
  • Brallobarbital
  • Brallobarbitale
  • Brallobarbitale [DCIT]
  • Brallobarbitalum
  • Brallobarbitalum [INN-Latin]
  • Bralobarbital
  • Bralobarbital [INN-Spanish]
  • EINECS 209-225-0
  • UNII-D0N7A2M3MU

Systematic Names

  • (5-Allyl-5-bromoallyl)barbituric acid
  • 5-Allyl-5-(2-bromoallyl)barbituric acid
  • Brallobarbital

Registry Numbers

CAS Registry Number

  • 561-86-4

FDA UNII

  • D0N7A2M3MU

System Generated Number

  • 0000561864

Structure Descriptors

InChI

1S/C10H11BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3H,1-2,4-5H2,(H2,12,13,14,15,16)

InChIKey

DYODAJAEQDVYFX-UHFFFAOYSA-N

Smiles

BrC(=C)CC1(CC=C)C(=O)NC(=O)NC1=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 168.5 deg C   EXP
log P (octanol-water) 1.37 (none)   EXP
Water Solubility 986 mg/L 25 EST
Vapor Pressure 2.85E-12 mm Hg 25 EST
Henry's Law Constant 7.03E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.89E-11 cm3/molecule-sec 25 EST

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