Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isonitrosoacetone
RN: 306-44-5
InChIKey: OVGLVOLWBBGQHS-DUXPYHPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H5-N-O2

Molecular Weight

  • 87.0775
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Oxopropanal-1-oxime
  • Isonitrosoacetone

Synonyms

  • 1,2-Propanedione, 1-oxime
  • 2-Propanone, 1-(hydroxyimino)-
  • 2-Propanone, 1-isonitroso-
  • 2-Propanone, isonitroso-
  • 3-01-00-03092 (Beilstein Handbook Reference)
  • 3-Hydroxyiminoacetone
  • Acetone, (hydroxyimino)-
  • Acetone, 3-hydroxyimino-
  • Acetone, isonitroso-
  • BRN 0635802
  • EINECS 206-184-0
  • Isonitrosoacetone
  • Methylglyoxal aldoxime
  • MINA
  • Monoisonitrosoacetone
  • Monoizonitrozoacetone
  • NSC 53172
  • Propanone 1-oxime
  • Pyruvaldehyde 1-oxime
  • Pyruvaldehydoxim
  • Pyruvaldehydoxim [Czech]
  • Pyruvaldoxime

Systematic Names

  • 2-Oxopropionaldehyde 1-oxime
  • Propanal, 2-oxo-, 1-oxime
  • Propanal, 2-oxo-, 1-oxime (9CI)
  • Pyruvaldehyde, 1-oxime

Registry Numbers

CAS Registry Number

  • 306-44-5

System Generated Number

  • 0000306445

Structure Descriptors

InChI

1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2+

InChIKey

OVGLVOLWBBGQHS-DUXPYHPUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 148mg/kg (148mg/kg)   European Journal of Toxicology and Environmental Hygiene. Vol. 8, Pg. 220, 1975.
rat LCLo inhalation 3600mg/m3/2H (3600mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: COMA

BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES
National Technical Information Service. Vol. OTS0555802,
rat LDLo intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
British Journal of Pharmacology and Chemotherapy. Vol. 11, Pg. 417, 1956.
rat LDLo oral 60mg/kg (60mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0555802,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 69 deg C   EXP
log P (octanol-water) 0.34 (none)   EXP
Water Solubility 6.48E+04 mg/L 25 EST
Vapor Pressure 0.201 mm Hg 25 EST
Henry's Law Constant 5.94E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.56E-12 cm3/molecule-sec 25 EST

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