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Substance Name: N-Cyanoethyl-N-acetoxyethylaniline
RN: 22031-33-0
UNII: 0908O0U5QU
InChIKey: RRGWFPOSTSQIQE-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-N2-O2

Molecular Weight

  • 232.281
 
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Names and Synonyms

Name of Substance

  • N-Cyanoethyl-N-acetoxyethylaniline

Synonyms

  • 3-((2-(Acetyloxy)ethyl)phenylamino)propanenitrile
  • Aniline, N-acetoxyethyl-N-cyanoethyl-
  • EINECS 244-740-4
  • N-Acetoxyethyl-N-cyanoethylaniline
  • UNII-0908O0U5QU

Systematic Names

  • 2-(N-(2-Cyanoethyl)anilino)ethyl acetate
  • Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-

Superlist Name

  • Propionitrile, 3-(N-(2-hydroxyethyl)anilino)-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 22031-33-0

FDA UNII

  • 0908O0U5QU

Other Registry Number

  • 161356-12-3

System Generated Number

  • 0022031330

Structure Descriptors

InChI

1S/C13H16N2O2/c1-12(16)17-11-10-15(9-5-8-14)13-6-3-2-4-7-13/h2-4,6-7H,5,9-11H2,1H3

InChIKey

RRGWFPOSTSQIQE-UHFFFAOYSA-N

Smiles

C(C#N)CN(CCOC(=O)C)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 850mg/kg (850mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.
rabbit LD50 oral 2070mg/kg (2070mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 32, 1988.
rat LD50 oral 2070mg/kg (2070mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 32, 1988.