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Substance Name: Melantonin
RN: 4224-00-4
InChIKey: LTYDTBHSPIJPEG-UHFFFAOYSA-N

Molecular Weight

  • 266.2986
 
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Names and Synonyms

Synonyms

  • 3-N-Methylphenytoin
  • CCRIS 4249

Systematic Name

  • Melantonin

Registry Numbers

CAS Registry Number

  • 4224-00-4

System Generated Number

  • 0004224004

Structure Descriptors

InChI

1S/C16H14N2O2/c1-18-14(19)16(17-15(18)20,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,20)

InChIKey

LTYDTBHSPIJPEG-UHFFFAOYSA-N

Smiles

CN1C(=O)C(NC1=O)(c2ccccc2)c3ccccc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.28 (none)   EXP
Water Solubility 217 mg/L 25 EST
Vapor Pressure 5.34E-10 mm Hg 25 EST
Henry's Law Constant 2.25E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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