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Substance Name: Acetoxime
RN: 127-06-0
UNII: QX74TFD64T
InChIKey: PXAJQJMDEXJWFB-UHFFFAOYSA-N

Molecular Formula

  • C3-H7-N-O

Molecular Weight

  • 73.0943
 
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Names and Synonyms

Name of Substance

  • Acetoxime

Synonyms

  • 2-Propanone oxime
  • 4-01-00-03202 (Beilstein Handbook Reference)
  • Acetone oxime
  • Acetonoxime
  • Acetoxime
  • AI3-52259
  • beta-Isonitrosopropane
  • BRN 1560146
  • CCRIS 5
  • EC 204-820-1
  • EINECS 204-820-1
  • NSC 7601
  • UNII-QX74TFD64T

Systematic Names

  • 2-Propanone, oxime
  • Acetone oxime
  • Acetoxime

Registry Numbers

CAS Registry Number

  • 127-06-0

FDA UNII

  • QX74TFD64T

System Generated Number

  • 0000127060

Structure Descriptors

InChI

1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3

InChIKey

PXAJQJMDEXJWFB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD unreported > 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 227, 1978.
mouse LD50 intraperitoneal 4gm/kg (4000mg/kg) BEHAVIORAL: COMA Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 522, 1957.
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 26, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
Boiling Point 136 deg C   EXP
pKa Dissociation Constant 12.42 (none) 25 EXP
log P (octanol-water) 0.12 (none)   EXP
Water Solubility 1.06E+05 mg/L 25 EST
Vapor Pressure 3.120 mm Hg 25 EST
Henry's Law Constant 7.80E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.35E-13 cm3/molecule-sec 25 EST

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