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Substance Name: 2-(2,3,6-Trichlorophenylimino)imidazolidine
RN: 82780-90-3
InChIKey: XDKHXZXWXFUESW-UHFFFAOYSA-N

Note

  • Clonidine derivative.

Molecular Formula

  • C9-H8-Cl3-N3

Molecular Weight

  • 264.542
 
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Names and Synonyms

Name of Substance

  • 2-(2,3,6-Trichlorophenylimino)imidazolidine

Synonym

  • TCPII

Systematic Name

  • 1H-Imidazol-2-amine, 4,5-dihydro-N-(2,3,6-trichlorophenyl)-

Registry Numbers

CAS Registry Number

  • 82780-90-3

System Generated Number

  • 0082780903

Structure Descriptors

InChI

1S/C9H8Cl3N3/c10-5-1-2-6(11)8(7(5)12)15-9-13-3-4-14-9/h1-2H,3-4H2,(H2,13,14,15)

InChIKey

XDKHXZXWXFUESW-UHFFFAOYSA-N

Smiles

C1(=NCCN1)Nc1c(c(ccc1Cl)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.46 (none)   EXP
Water Solubility 1580 mg/L 25 EST
Vapor Pressure 5.29E-06 mm Hg 25 EST
Henry's Law Constant 1.12E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.40E-10 cm3/molecule-sec 25 EST

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