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Substance Name: Decanedinitrile
RN: 1871-96-1
InChIKey: DFJYZCUIKPGCSG-UHFFFAOYSA-N

Molecular Formula

  • C10-H16-N2

Molecular Weight

  • 164.25
 
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Names and Synonyms

Synonyms

  • 1,8-Dicyanooctane
  • 4-02-00-02089 (Beilstein Handbook Reference)
  • AI3-08103
  • BRN 1750739
  • Decanedinitrile
  • EINECS 217-494-0
  • NSC 39461
  • Octamethylene dicyanide
  • Oktamethylendikyanid
  • Oktamethylendikyanid [Czech]

Systematic Names

  • Decanedinitrile
  • Sebaconitrile

Registry Numbers

CAS Registry Number

  • 1871-96-1

Other Registry Number

  • 72007-50-2

System Generated Number

  • 0001871961

Structure Descriptors

InChI

1S/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2

InChIKey

DFJYZCUIKPGCSG-UHFFFAOYSA-N

Smiles

N#CCCCCCCCCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 165mg/kg (165mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 905, 1986.
rat LDLo oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.75 (none)   EXP
Water Solubility 1140 mg/L 25 EST
Vapor Pressure 5.77E-04 mm Hg 25 EST
Henry's Law Constant 9.21E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.36E-12 cm3/molecule-sec 25 EST

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