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Substance Name: NSC22494
RN: 7152-40-1
InChIKey: GUHSDYKJSKLWJF-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-N5

Molecular Weight

  • 223.238
 
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Names and Synonyms

Results Name

  • NSC22494

Synonyms

  • 1-Phenyl-3-cyanomethyl-4-cyano-5-aminopyrazole
  • 4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-1-phenyl-
  • 5-25-17-00107 (Beilstein Handbook Reference)
  • 5-Amino-4-cyano-1-phenyl-3-pyrazoleacetonitrile
  • BRN 0217441
  • EINECS 230-496-6
  • NSC 22494

Systematic Names

  • 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-1-phenyl- (9CI)
  • 4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-1-phenyl-
  • 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile

Registry Numbers

CAS Registry Number

  • 7152-40-1

System Generated Number

  • 0007152401

Structure Descriptors

InChI

1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2

InChIKey

GUHSDYKJSKLWJF-UHFFFAOYSA-N

Smiles

n1(c(c(C#N)c(n1)CC#N)N)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00799,