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Substance Name: N-Butylurea
RN: 592-31-4
UNII: 9CPL5NR15K
InChIKey: CNWSQCLBDWYLAN-UHFFFAOYSA-N

Note

  • CNS depressant.

Classification Codes

  • Agricultural Chemical
  • Mutation Data

Molecular Formula

  • C5-H12-N2-O

Molecular Weight

  • 116.163
 
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Names and Synonyms

Name of Substance

  • Butylurea
  • n-Butylurea

Synonyms

  • 1-Butylurea
  • 4-04-00-00578 (Beilstein Handbook Reference)
  • AI3-52319
  • BRN 1744775
  • Butylurea
  • EINECS 209-748-4
  • HSDB 5497
  • n-Butylurea
  • NCI-C02131
  • NSC 2597
  • UNII-9CPL5NR15K
  • Urea, butyl-

Systematic Names

  • Butylurea
  • Urea, butyl-
  • Urea, N-butyl-

Registry Numbers

CAS Registry Number

  • 592-31-4

FDA UNII

  • 9CPL5NR15K

System Generated Number

  • 0000592314

Structure Descriptors

InChI

1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)

InChIKey

CNWSQCLBDWYLAN-UHFFFAOYSA-N

Smiles

N(CCCC)C(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1285mg/kg (1285mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 208, Pg. 204, 1974.
mouse LDLo parenteral 1627mg/kg (1627mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: GENERAL ANESTHETIC
Journal of Pharmacology and Experimental Therapeutics. Vol. 52, Pg. 216, 1934.
rat LD50 intravenous 382mg/kg (382mg/kg)   Toxicologist. Vol. 15, Pg. 72, 1995.
rat LD50 oral 1255mg/kg (1255mg/kg)   Toxicologist. Vol. 15, Pg. 72, 1995.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 97 deg C   EXP
log P (octanol-water) 0.41 (none)   EXP
Water Solubility 4.63E+04 mg/L 25 EST
Vapor Pressure 0.036 mm Hg 25 EST
Henry's Law Constant 1.87E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.44E-12 cm3/molecule-sec 25 EST

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