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Substance Name: Butyronitrile, 4-dimethylamino-2-phenyl-
RN: 50599-78-5
InChIKey: SKQMIWWQYUSWFP-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-N2

Molecular Weight

  • 188.272
 
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Names and Synonyms

Synonyms

  • 2-(2-Dimethylaminoethyl)-2-phenylacetonitrile
  • 4-14-00-01725 (Beilstein Handbook Reference)
  • 4-Dimethylamino-2-phenylbutyronitrile
  • alpha-(beta-Dimethylaminoethyl)benzyl cyanide
  • BRN 2805419
  • EINECS 256-642-9

Systematic Names

  • 4-(Dimethylamino)-2-phenylbutyronitrile
  • Butyronitrile, 4-dimethylamino-2-phenyl-

Registry Numbers

CAS Registry Number

  • 50599-78-5

System Generated Number

  • 0050599785

Structure Descriptors

InChI

1S/C12H16N2/c1-14(2)9-8-12(10-13)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3

InChIKey

SKQMIWWQYUSWFP-UHFFFAOYSA-N

Smiles

c1([C@@H](CCN(C)C)C#N)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00368,