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Substance Name: 3-Anilinopropionitrile
RN: 1075-76-9
UNII: S4YM38H4U6
InChIKey: FENJKTQEFUPECW-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-N2

Molecular Weight

  • 146.192
 
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Names and Synonyms

Name of Substance

  • 3-Anilinopropionitrile

Synonyms

  • 2-Phenylaminopropionitrile
  • 3-Anilinopropionitrile
  • 4-12-00-00890 (Beilstein Handbook Reference)
  • AI3-52560
  • beta-Anilinopropanenitrile
  • beta-Anilinopropionitrile
  • BRN 0509166
  • EINECS 214-057-6
  • N-(2-Cyanoethyl)aniline
  • N-(Cyanoethyl)aniline
  • NSC 80663
  • Propanenitrile, 3-(phenylamino)-
  • Propanenitrile, 3-anilino-
  • UNII-S4YM38H4U6

Systematic Names

  • 3-Anilinopropionitrile
  • Propanenitrile, 3-(phenylamino)-
  • Propionitrile, 3-anilino-

Registry Numbers

CAS Registry Number

  • 1075-76-9

FDA UNII

  • S4YM38H4U6

System Generated Number

  • 0001075769

Structure Descriptors

InChI

1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2

InChIKey

FENJKTQEFUPECW-UHFFFAOYSA-N

Smiles

c1(NCCC#N)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 4500mg/kg (4500mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Polish Journal of Pharmacology and Pharmacy. Vol. 32, Pg. 223, 1980.
mouse LD50 oral 2560mg/kg (2560mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 32, 1988.
rat LD50 oral 4700mg/kg (4700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 50, 1988.