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Substance Name: Urea, N-(1,1-dimethylethyl)-
RN: 1118-12-3
InChIKey: JLEHSYHLHLHPAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H12-N2-O

Molecular Weight

  • 116.163
 
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Names and Synonyms

Synonyms

  • (1,1-Dimethylethyl)urea
  • 4-04-00-00665 (Beilstein Handbook Reference)
  • BRN 1744501
  • EINECS 214-257-3
  • N-tert-Butylurea
  • NSC 4604
  • tert-Butylurea
  • Urea, tert-butyl-

Systematic Names

  • tert-Butylurea
  • Urea, (1,1-dimethylethyl)-
  • Urea, N-(1,1-dimethylethyl)-
  • Urea, tert-butyl-

Registry Numbers

CAS Registry Number

  • 1118-12-3

System Generated Number

  • 0001118123

Structure Descriptors

InChI

1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)

InChIKey

JLEHSYHLHLHPAL-UHFFFAOYSA-N

Smiles

C(NC(N)=O)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3050mg/kg (3050mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 219, Pg. 103, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.270 (none)   EST
Water Solubility 2.16E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 2.50E-12 cm3/molecule-sec 25 EST

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