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Substance Name: sec-Butylurea
RN: 689-11-2
UNII: U467SL0X4P
InChIKey: CBRSBDUOPJQVMP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H12-N2-O

Molecular Weight

  • 116.1628
 
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Names and Synonyms

Name of Substance

  • sec-Butylurea

Synonyms

  • EINECS 211-709-1
  • HSDB 5742
  • N-sec-Butylurea
  • NSC 27458
  • sec-Butylurea
  • Secondary butylurea
  • UNII-U467SL0X4P
  • Urea, (1-methylpropyl)-
  • Urea, 1-sec-butyl-
  • Urea, sec-butyl-

Systematic Names

  • sec-Butylurea
  • Urea, (1-methylpropyl)-
  • Urea, N-(1-methylpropyl)-
  • Urea, sec-butyl-

Superlist Name

  • Urea, sec-butyl-

Registry Numbers

CAS Registry Number

  • 689-11-2

FDA UNII

  • U467SL0X4P

Other Registry Number

  • 116668-60-1

System Generated Number

  • 0000689112

Structure Descriptors

InChI

1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)

InChIKey

CBRSBDUOPJQVMP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo parenteral 2789mg/kg (2789mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 52, Pg. 216, 1934.
rat LDLo oral 7500mg/kg (7500mg/kg)   National Technical Information Service. Vol. OTS0571269,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.310 (none)   EST
Water Solubility 2760 mg/L 25 EST
Vapor Pressure 0.066 mm Hg 25 EST
Henry's Law Constant 1.87E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.33E-11 cm3/molecule-sec 25 EST

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