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Substance Name: 2,4-Diazaspiro(5.5)undecane-1,3,5-trione
RN: 52-44-8
InChIKey: NBLIVIWUPTWDMD-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-N2-O3

Molecular Weight

  • 196.2048
 
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Names and Synonyms

Synonyms

  • 5-24-09-00222 (Beilstein Handbook Reference)
  • BRN 0195010

Systematic Name

  • 2,4-Diazaspiro(5.5)undecane-1,3,5-trione

Registry Numbers

CAS Registry Number

  • 52-44-8

System Generated Number

  • 0000052448

Structure Descriptors

InChI

1S/C9H12N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)

InChIKey

NBLIVIWUPTWDMD-UHFFFAOYSA-N

Smiles

O=C1NC(=O)C2(CCCCC2)C(=O)N1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 695, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.88 (none)   EXP
log P (octanol-water) 0.91 (none)   EXP
Water Solubility 7640 mg/L 25 EST
Vapor Pressure 4.07E-11 mm Hg 25 EST
Henry's Law Constant 2.11E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.52E-11 cm3/molecule-sec 25 EST

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