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Substance Name: Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate
RN: 69969-62-6
UNII: 546J470WFK
InChIKey: TYIHVCIQMMTVHE-UHFFFAOYSA-N

Molecular Formula

  • C16-H20-N2-O3

Molecular Weight

  • 288.345
 
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Names and Synonyms

Results Name

  • Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate

Name of Substance

  • Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate

Synonyms

  • Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate
  • UNII-546J470WFK

Systematic Name

  • Benzoic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 69969-62-6

FDA UNII

  • 546J470WFK

Other Registry Number

  • 100594-45-4

System Generated Number

  • 0069969626

Structure Descriptors

InChI

1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)11-7-6-10(3)8-12(11)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)

InChIKey

TYIHVCIQMMTVHE-UHFFFAOYSA-N

Smiles

c1cc(C)cc(C(=O)OC)c1C=1N[C@@](C)(C(C)C)C(=O)N1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 113 deg C   EXP
log P (octanol-water) 1.890 (none)   EST
Water Solubility 1370 mg/L   EXP
Atmospheric OH Rate Constant 1.26E-10 cm3/molecule-sec 25 EST

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