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Substance Name: 3,4-Dimethoxyphenylacetonitrile
RN: 93-17-4
UNII: 62C8S706SP
InChIKey: ASLSUMISAQDOOB-UHFFFAOYSA-N

Molecular Formula

  • C10-H11-N-O2

Molecular Weight

  • 177.202
 
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Names and Synonyms

Name of Substance

  • 3,4-Dimethoxyphenylacetonitrile

Synonyms

  • 3,4-Dimethoxybenzeneacetonitrile
  • 3,4-Dimethoxybenzyl cyanide
  • 3,4-Dimethoxyphenylacetonitrile
  • 3,4-Dimethylbenzyl cyanide
  • 4-10-00-01513 (Beilstein Handbook Reference)
  • Acetonitrile, 3,4-(dimethoxyphenyl)-
  • AI3-23882
  • BRN 1956100
  • EC 202-225-1
  • EINECS 202-225-1
  • Homoveratronitrile
  • NSC 6324
  • UNII-62C8S706SP
  • Veratryl cyanide

Systematic Names

  • 3,4-Dimethoxyphenylacetonitrile
  • Acetonitrile, 3,4-dimethoxyphenyl-
  • Benzeneacetonitrile, 3,4-dimethoxy- (9CI)

Registry Numbers

CAS Registry Number

  • 93-17-4

FDA UNII

  • 62C8S706SP

System Generated Number

  • 0000093174

Structure Descriptors

InChI

1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3

InChIKey

ASLSUMISAQDOOB-UHFFFAOYSA-N

Smiles

c1cc(cc(c1OC)OC)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00302,
mouse LD50 oral 1029mg/kg (1029mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANALGESIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 55, 1982.
rat LD50 unreported 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANALGESIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 55, 1982.