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Substance Name: Acetonitrile, ((4,6-diazido-1,3,5-triazin-2-yl)oxy)-
RN: 127660-99-5
InChIKey: KWRLEOAKBSAONN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H2-N10-O

Molecular Weight

  • 218.1398
 
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Names and Synonyms

Synonyms

  • ((4,6-Diazido-1,3,5-triazin-2-yl)oxy)acetonitrile
  • 2,4-Diazido-6-cyanomethoxy-s-triazine

Systematic Name

  • Acetonitrile, ((4,6-diazido-1,3,5-triazin-2-yl)oxy)-

Registry Numbers

CAS Registry Number

  • 127660-99-5

System Generated Number

  • 0127660995

Structure Descriptors

InChI

1S/C5H2N10O/c6-1-2-16-5-10-3(12-14-7)9-4(11-5)13-15-8/h2H2

InChIKey

KWRLEOAKBSAONN-UHFFFAOYSA-N

Smiles

C(C#N)Oc1nc(nc(n1)N=[N+]=[N-])N=[N+]=[N-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 719, 1991.