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Substance Name: NSC 147707
RN: 126-50-1
InChIKey: JEQZAEPYFGSAIF-UHFFFAOYSA-N

Molecular Formula

  • C12-H15-N3-O

Molecular Weight

  • 217.27
 
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Names and Synonyms

Results Name

  • NSC 147707

Synonyms

  • 1,1,1-Tris(2-cyanoethyl)-2-propanone
  • 1,1,1-Tris(2-cyanoethyl)acetone
  • 1,1,1-Tris(beta-cyanoethyl)acetone
  • 3-03-00-01439 (Beilstein Handbook Reference)
  • 4-Acetyl-4-(2cyanoethylheptane)dinitrile
  • BRN 1782506
  • EINECS 204-787-3
  • Heptane, 4-acetyl-4-(2-cyanoethyl)-1,7-dinitrilo-
  • NSC 147707
  • USAF B-122

Systematic Names

  • 1,7-Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-
  • 4-Acetyl-4-(2-cyanoethyl)heptanedinitrile
  • Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-

Registry Numbers

CAS Registry Number

  • 126-50-1

System Generated Number

  • 0000126501

Structure Descriptors

InChI

1S/C12H15N3O/c1-11(16)12(5-2-8-13,6-3-9-14)7-4-10-15/h2-7H2,1H3

InChIKey

JEQZAEPYFGSAIF-UHFFFAOYSA-N

Smiles

C(CCC#N)(CCC#N)(CCC#N)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 29, 1953.