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Substance Name: Dodecanenitrile
RN: 2437-25-4
UNII: TL45I6761P
InChIKey: VXCUURYYWGCLIH-UHFFFAOYSA-N

Molecular Formula

  • C12-H23-N

Molecular Weight

  • 181.321
 
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Names and Synonyms

Name of Substance

  • Dodecanenitrile

Synonyms

  • 1-Cyanoundecane
  • 4-02-00-01104 (Beilstein Handbook Reference)
  • AI3-00311
  • BRN 0970348
  • Decylacetonitrile
  • Dodecane nitrile
  • Dodecanonitrile
  • EC 219-440-1
  • EINECS 219-440-1
  • Lauric acid nitrile
  • Lauric nitrile
  • Lauronitrile
  • NSC 1804
  • Undecyl cyanide
  • UNII-TL45I6761P

Systematic Names

  • Dodecanenitrile
  • Lauronitrile (8CI)

Superlist Name

  • Lauronitrile

Registry Numbers

CAS Registry Number

  • 2437-25-4

FDA UNII

  • TL45I6761P

Other Registry Number

  • 891491-24-0

System Generated Number

  • 0002437254

Structure Descriptors

InChI

1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3

InChIKey

VXCUURYYWGCLIH-UHFFFAOYSA-N

Smiles

C(CCCCCC)CCCCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
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
Melting Point 4 deg C   EXP
Boiling Point 277 deg C   EXP
log P (octanol-water) 4.770 (none)   EST
Water Solubility 2.510 mg/L 25 EST
Henry's Law Constant 5.19E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.16E-11 cm3/molecule-sec 25 EST

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