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Substance Name: N-Methylisatin
RN: 2058-74-4
InChIKey: VCYBVWFTGAZHGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-N-O2

Molecular Weight

  • 161.159
 
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Names and Synonyms

Name of Substance

  • N-Methylisatin

Synonyms

  • 1-Methyl-1H-indole-2,3-dione
  • 1-Methyl-indole-2,3-dione
  • 1-Methylisatin
  • 5-21-10-00236 (Beilstein Handbook Reference)
  • BRN 0128280
  • EINECS 218-164-9
  • N-Methylisatin
  • NSC 42449
  • OL-57

Systematic Names

  • 1-Methyl-2,3-dihydroindole-2,3-dione
  • 1H-Indole-2,3-dione, 1-methyl- (9CI)
  • Indole-2,3-dione, 1-methyl-

Registry Numbers

CAS Registry Number

  • 2058-74-4

System Generated Number

  • 0002058744

Structure Descriptors

InChI

1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3

InChIKey

VCYBVWFTGAZHGH-UHFFFAOYSA-N

Smiles

c12c(N(C)C(C1=O)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 685mg/kg (685mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION Pharmaceutical Chemistry Journal Vol. 15, Pg. 858, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 130-133 deg C   EXP
log P (octanol-water) 0.58 (none)   EXP
Water Solubility 2.16E+04 mg/L 25 EST
Vapor Pressure 5.51E-05 mm Hg 25 EST
Henry's Law Constant 4.52E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

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