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Substance Name: 1-(Piperidyl)-3-(4-tolylsulfonyl)urea
RN: 1443-94-3
InChIKey: KJEOOPXZTLEKJY-UHFFFAOYSA-N

Molecular Formula

  • C13-H19-N3-O3-S

Molecular Weight

  • 297.377
 
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Names and Synonyms

Name of Substance

  • 1-(Piperidyl)-3-(4-tolylsulfonyl)urea

Synonym

  • 1-PTU

Systematic Name

  • Benzenesulfonamide, 4-methyl-N-((1-piperidinylamino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 1443-94-3

System Generated Number

  • 0001443943

Structure Descriptors

InChI

1S/C13H19N3O3S/c1-11-5-7-12(8-6-11)20(18,19)15-13(17)14-16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H2,14,15,17)

InChIKey

KJEOOPXZTLEKJY-UHFFFAOYSA-N

Smiles

c1cc(C)ccc1S(=O)(=O)NC(=O)NN1CCCCC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.34 (none)   EXP
Water Solubility 912 mg/L 25 EST
Vapor Pressure 2.61E-09 mm Hg 25 EST
Henry's Law Constant 1.02E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.88E-11 cm3/molecule-sec 25 EST

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