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Substance Name: Ethanone, 1-phenyl-, oxime
RN: 613-91-2
InChIKey: JHNRZXQVBKRYKN-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H9-N-O

Molecular Weight

  • 135.165
 
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Names and Synonyms

Synonyms

  • 3-07-00-00954 (Beilstein Handbook Reference)
  • Acetophenone oxime
  • AI3-10567
  • BRN 1562059
  • EINECS 210-360-2
  • Methyl phenyl ketone oxime
  • Methyl phenyl ketoxime
  • NSC 3988
  • NSC 52223

Systematic Names

  • Acetophenone oxime
  • Ethanone, 1-phenyl-, oxime

Registry Numbers

CAS Registry Number

  • 613-91-2

System Generated Number

  • 0000613912

Structure Descriptors

InChI

1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+

InChIKey

JHNRZXQVBKRYKN-VQHVLOKHSA-N

Smiles

N(\O)=C(\c1ccccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Medicina Experimentalis. Vol. 11, Pg. 137, 1964.
mouse LD50 unreported 450mg/kg (450mg/kg) BEHAVIORAL: ANTICONVULSANT Pharmaceutical Chemistry Journal Vol. 12, Pg. 227, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60 deg C   EXP
Boiling Point 245 deg C   EXP
log P (octanol-water) 2.420 (none)   EST
Atmospheric OH Rate Constant 4.46E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.