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Substance Name: Heptanedinitrile, 4-acetyl-4-methyl-
RN: 1681-17-0
InChIKey: XWNSFEAWWGGSKJ-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-N2-O

Molecular Weight

  • 178.234
 
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Names and Synonyms

Synonyms

  • 2,2-Bis(beta-cyanoethyl)-3-butanone
  • 4-03-00-01855 (Beilstein Handbook Reference)
  • 4-Acetyl-4-methylheptanedinitrile
  • 4-Acetyl-4-methylpimelonitrile
  • AI3-13063
  • BRN 1769600
  • NSC 2767
  • NSC 404930

Systematic Name

  • Heptanedinitrile, 4-acetyl-4-methyl-

Registry Numbers

CAS Registry Number

  • 1681-17-0

System Generated Number

  • 0001681170

Structure Descriptors

InChI

1S/C10H14N2O/c1-9(13)10(2,5-3-7-11)6-4-8-12/h3-6H2,1-2H3

InChIKey

XWNSFEAWWGGSKJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo parenteral 312mg/kg (312mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 689, 1955.