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Substance Name: Butanamide, N-(aminocarbonyl)-2-chloro-3-methyl-
RN: 61345-66-2
InChIKey: MVPOUIVDKJJYLB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H11-Cl-N2-O2

Molecular Weight

  • 178.618
 
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Names and Synonyms

Synonyms

  • 0-03-00-00063 (Beilstein Handbook Reference)
  • 1-(2-Chloro-3-methylbutanoyl)urea
  • BRN 1773254
  • N-(Aminocarbonyl)-2-chloro-3-methylbutanamide

Systematic Name

  • Butanamide, N-(aminocarbonyl)-2-chloro-3-methyl-

Registry Numbers

CAS Registry Number

  • 61345-66-2

System Generated Number

  • 0061345662

Structure Descriptors

InChI

1S/C6H11ClN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)

InChIKey

MVPOUIVDKJJYLB-UHFFFAOYSA-N

Smiles

NC(=O)NC(=O)[C@@H](Cl)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1061mg/kg (1061mg/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 (none)   EXP
Water Solubility 7830 mg/L 25 EST
Vapor Pressure 1.35E-06 mm Hg 25 EST
Henry's Law Constant 8.89E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.03E-12 cm3/molecule-sec 25 EST

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