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Substance Name: Valeranilide
RN: 10264-18-3
InChIKey: PGMBORLSOHYBFJ-UHFFFAOYSA-N

Molecular Formula

  • C11-H15-N-O

Molecular Weight

  • 177.245
 
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Names and Synonyms

Synonyms

  • 4-12-00-00390 (Beilstein Handbook Reference)
  • BRN 2360885
  • EINECS 233-603-4

Systematic Name

  • Valeranilide

Registry Numbers

CAS Registry Number

  • 10264-18-3

System Generated Number

  • 0010264183

Structure Descriptors

InChI

1S/C11H15NO/c1-2-3-9-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)

InChIKey

PGMBORLSOHYBFJ-UHFFFAOYSA-N

Smiles

c1ccccc1NC(=O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1360mg/kg (1360mg/kg)   Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.61 (none)   EXP
Water Solubility 335 mg/L 25 EST
Vapor Pressure 3.28E-05 mm Hg 25 EST
Henry's Law Constant 1.44E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.91E-11 cm3/molecule-sec 25 EST

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