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Substance Name: Imidazolidine, 2-trifluoromethyl-, hemihydrate
RN: 67292-90-4
InChIKey: KEEFOWVQFINXRQ-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-F3-N2.1/2H2-O

Molecular Weight

  • 298.229
 
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Names and Synonyms

Synonym

  • 2-Trifluoromethylimidazolidine hemihydrate

Systematic Name

  • Imidazolidine, 2-trifluoromethyl-, hemihydrate

Registry Numbers

CAS Registry Number

  • 67292-90-4

System Generated Number

  • 0067292904

Molecular Formulas

Molecular Formula

  • C4-H7-F3-N2.1/2H2-O

Molecular Formula Fragments

  • C4-H7-F3-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C4H7F3N2.H2O/c2*5-4(6,7)3-8-1-2-9-3;/h2*3,8-9H,1-2H2;1H2

InChIKey

KEEFOWVQFINXRQ-UHFFFAOYSA-N

Smiles

C1(C(F)(F)F)NCCN1.C1(C(F)(F)F)NCCN1.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1212, 1970.
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1212, 1970.