Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Nealbarbital [INN:BAN]
RN: 561-83-1
UNII: 25ATP958PA
InChIKey: YHKPTICJRUESOY-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-N2-O3

Molecular Weight

  • 238.2852
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Nealbarbital
  • Nealbarbital [INN:BAN]

Synonyms

  • 5-Allyl-5-(2,2-dimethylpropyl)barbituric acid
  • 5-Allyl-5-neopentylbarbituric acid
  • 5-Allyl-5-neopentylbarbitursaeure
  • 5-Neopentyl-5-allylbarbituric acid
  • Allylneopentylbarbituric acid
  • Censedal
  • EINECS 209-224-5
  • Nealbarbital
  • Nealbarbitalum
  • Nealbarbitalum [INN-Latin]
  • Nealbarbitone
  • Neallylmalum
  • Neallymal
  • Nepental
  • Nevental
  • UNII-25ATP958PA

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2,2-dimethylpropyl)-5-(2-propenyl)-
  • 5-Allyl-5-neopentylbarbituric acid
  • Barbituric acid, 5-allyl-5-neopentyl-
  • Nealbarbital

Registry Numbers

CAS Registry Number

  • 561-83-1

FDA UNII

  • 25ATP958PA

Other Registry Number

  • 38211-35-7

System Generated Number

  • 0000561831

Structure Descriptors

InChI

1S/C12H18N2O3/c1-5-6-12(7-11(2,3)4)8(15)13-10(17)14-9(12)16/h5H,1,6-7H2,2-4H3,(H2,13,14,15,16,17)

InChIKey

YHKPTICJRUESOY-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 156 deg C   EXP
log P (octanol-water) 2.06 (none)   EXP
Water Solubility 478 mg/L 25 EST
Vapor Pressure 1.40E-11 mm Hg 25 EST
Henry's Law Constant 8.35E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.69E-11 cm3/molecule-sec 25 EST

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