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Substance Name: Propanenitrile, 3-ethoxy-
RN: 2141-62-0
InChIKey: DCWQZPJHHVLHSV-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-N-O

Molecular Weight

  • 99.1321
 
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Names and Synonyms

Synonyms

  • 3-Ethoxypropanenitrile
  • 3-Ethoxypropionitrile
  • 4-03-00-00708 (Beilstein Handbook Reference)
  • AI3-25450
  • beta-Aethoxypropionitril
  • beta-Aethoxypropionitril [German]
  • beta-Ethoxypropionitrile
  • BRN 0741924
  • EINECS 218-393-4
  • NSC 7767

Systematic Names

  • 3-Ethoxypropiononitrile
  • Propanenitrile, 3-ethoxy-
  • Propionitrile, 3-ethoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 2141-62-0

System Generated Number

  • 0002141620

Structure Descriptors

InChI

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

InChIKey

DCWQZPJHHVLHSV-UHFFFAOYSA-N

Smiles

C(CC#N)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rat LD50 oral 3200mg/kg (3200mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 171 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.