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Substance Name: Pentanenitrile, 4,4-dimethyl-3-oxo-
RN: 59997-51-2
InChIKey: MXZMACXOMZKYHJ-UHFFFAOYSA-N

Molecular Formula

  • C7-H11-N-O

Molecular Weight

  • 125.17
 
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Names and Synonyms

Synonyms

  • 4,4-Dimethyl-3-oxopentanenitrile
  • EINECS 262-017-1
  • Pentanenitrile, 4,4-dimethyl-3-oxo-
  • Pivaloylacetonitrile
  • Valeronitrile, 4,4-dimethyl-3-oxo-

Systematic Names

  • 4,4-Dimethyl-3-oxovaleronitrile
  • Pentanenitrile, 4,4-dimethyl-3-oxo-

Registry Numbers

CAS Registry Number

  • 59997-51-2

System Generated Number

  • 0059997512

Structure Descriptors

InChI

1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3

InChIKey

MXZMACXOMZKYHJ-UHFFFAOYSA-N

Smiles

O=C(C(C)(C)C)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. OTS0555393,
rat LD50 oral 283mg/kg (283mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0555393,