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Substance Name: Propanenitrile, 2-ethoxy- (9CI)
RN: 14631-45-9
InChIKey: DCWQZPJHHVLHSV-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-N-O

Molecular Weight

  • 99.1321
 
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Names and Synonyms

Synonyms

  • 2-Ethoxypropannitril
  • 2-Ethoxypropannitril [Czech]
  • 2-Ethoxypropionitrile
  • 4-03-00-00675 (Beilstein Handbook Reference)
  • alpha-Ethoxypropionitrile
  • BRN 1720500

Systematic Names

  • Propanenitrile, 2-ethoxy- (9CI)
  • Propionitrile, 2-ethoxy-

Registry Numbers

CAS Registry Number

  • 14631-45-9

System Generated Number

  • 0014631459

Structure Descriptors

InChI

1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3

InChIKey

DCWQZPJHHVLHSV-UHFFFAOYSA-N

Smiles

N#CCCOCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 2865mg/kg (2865mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LD50 oral 2200mg/kg (2200mg/kg) BEHAVIORAL: EXCITEMENT Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. Vol. 13, Pg. 125, 1973.
rat LD50 oral 2860mg/kg (2860mg/kg) BEHAVIORAL: EXCITEMENT Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. Vol. 13, Pg. 125, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 136 deg C   EXP
log P (octanol-water) 0.070 (none)   EST
Atmospheric OH Rate Constant 7.48E-12 cm3/molecule-sec 25 EST

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