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Substance Name: Butanamide, N-(aminocarbonyl)-2-chloro-2-ethyl-
RN: 61421-89-4
InChIKey: ACIVXVCFXWJISJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H13-Cl-N2-O2

Molecular Weight

  • 192.645
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloro-2-ethylbutanoyl)urea
  • N-(Aminocarbonyl)-2-chloro-2-ethylbutanamide

Systematic Name

  • Butanamide, N-(aminocarbonyl)-2-chloro-2-ethyl-

Registry Numbers

CAS Registry Number

  • 61421-89-4

System Generated Number

  • 0061421894

Structure Descriptors

InChI

1S/C7H13ClN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)

InChIKey

ACIVXVCFXWJISJ-UHFFFAOYSA-N

Smiles

NC(=O)NC(=O)C(Cl)(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 909mg/kg (909mg/kg)   Clinical and Experimental Pharmacology and Physiology. Vol. 3, Pg. 443, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.4 (none)   EXP
Water Solubility 3040 mg/L 25 EST
Vapor Pressure 7.37E-07 mm Hg 25 EST
Henry's Law Constant 1.18E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.63E-12 cm3/molecule-sec 25 EST

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