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Substance Name: Urea, 1-(2-ethylidenehexanoyl)-
RN: 102613-33-2
InChIKey: AUJBYHKZNPPODV-DAXSKMNVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N2-O2

Molecular Weight

  • 184.237
 
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Names and Synonyms

Synonyms

  • 1-(2-Butilcrotonil)urea
  • 1-(2-Butilcrotonil)urea [Italian]
  • 1-(2-Ethylidenehexanoyl)urea
  • 3-03-00-00131 (Beilstein Handbook Reference)
  • BRN 1782514

Systematic Name

  • Urea, 1-(2-ethylidenehexanoyl)-

Registry Numbers

CAS Registry Number

  • 102613-33-2

System Generated Number

  • 0102613332

Structure Descriptors

InChI

1S/C9H16N2O2/c1-3-5-6-7(4-2)8(12)11-9(10)13/h4H,3,5-6H2,1-2H3,(H3,10,11,12,13)/b7-4-

InChIKey

AUJBYHKZNPPODV-DAXSKMNVSA-N

Smiles

O=C(NC(=O)N)\C(=C/C)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6200mg/kg (6200mg/kg)   Farmaco, Edizione Scientifica. Vol. 14, Pg. 845, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.780 (none)   EST
Water Solubility 300 mg/L 20 EXP
Atmospheric OH Rate Constant 3.64E-11 cm3/molecule-sec 25 EST

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