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Substance Name: Acetone semicarbazone
RN: 110-20-3
InChIKey: HQDAJGNZGNZGCO-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-N3-O

Molecular Weight

  • 115.135
 
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Names and Synonyms

Results Name

  • Acetone semicarbazone

Synonyms

  • 2-Propanone, semicarbazone
  • 4-03-00-00179 (Beilstein Handbook Reference)
  • Acetone semicarbazone
  • Acetonesemicarbazone
  • AI3-00507
  • BRN 0970110
  • EINECS 203-746-7
  • NSC 456

Systematic Names

  • Acetone semicarbazone
  • Hydrazinecarboxamide, 2-(1-methylethylidene)-

Registry Numbers

CAS Registry Number

  • 110-20-3

System Generated Number

  • 0000110203

Structure Descriptors

InChI

1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)

InChIKey

HQDAJGNZGNZGCO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 122, Pg. 110, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.980 (none)   EST
Water Solubility 6.22E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 2.33E-12 cm3/molecule-sec 25 EST

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